N-[5-({5-[(5-{[(3Z)-3-Amino-3-Iminopropyl]Carbamoyl}-1-Methyl-1H-Pyrrol-3-Yl)Carbamoyl]-1-Methyl-1H-Pyrrol-3-Yl}Carbamoyl)-1-Methyl-1H-Pyrrol-3-Yl]-4,5-Dichloro-1,2-Thiazole-3-Carboxamide

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Properties Simple | Detailed

Formula C25H26Cl2N10O4S
IUPAC Name n-[5-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]carbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]carbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]-4,5-dichloro-isothiazole-3-carboxamide
Molecular Mass 633.510 g·mol−1
Heat of Formation -142.4 ± 16.7 kJ·mol−1
Dipole Moment 9.80 ± 1.08 D
Volume 681.29 Å 3
Surface Area 605.76 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 3-isothiazolecarboxamide, n-[5-[[[5-[[[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1h-pyrrol-3-yl]amino]carbonyl]-1-methyl-1h-pyrrol-3-yl]amino]carbonyl]-1-methyl-1h-pyrrol-3-yl]-4,5-dichloro-
  • gsq1530
  • n-[5-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4,5-dichloro-1,2-thiazole-3-carboxamide
  • n-[5-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4,5-dichloro-isothiazole-3-carboxamide
  • n-[5-[[[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4,5-dichloro-3-isothiazolecarboxamide
InChIKey VNWXDMXRLSFYGU-UHFFFAOYSA-N
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