3-Hydroxypropyl 3-[(7-Carbamimidoyl-1-Naphthyl)Carbamoyl]Benzenesulfonate

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Properties Simple | Detailed

Formula C21H21N3O5S
IUPAC Name 3-hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate
Molecular Mass 427.474 g·mol−1
Heat of Formation -563.7 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 484.75 Å 3
Surface Area 381.22 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(7-amidino-1-naphthyl)carbamoyl]benzenesulfonic acid 3-hydroxypropyl ester
  • 3-[[(7-carbamimidoyl-1-naphthyl)amino]-oxomethyl]benzenesulfonic acid 3-hydroxypropyl ester
InChIKey PXERBGNIBOFZOW-UHFFFAOYSA-N
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