1-[N-(2-Naphthylsulfonyl)Glycyl-4-{[(Diaminomethylene)Amino]Methyl}Phenylalanyl]Piperidine

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Properties Simple | Detailed

Formula C28H29N6O4S
IUPAC Name (2z,9z)-n-[[5-[4-cyano-2-(cyanoamino)phenyl]-4-(2h-pyridine-1-carbonyl)-5h-oxazol-3-ium-2-yl]methyl]cyclodeca-2,9-diene-1-sulfonamide
Molecular Mass 545.633 g·mol−1
Heat of Formation 3915.5 ± 16.7 kJ·mol−1
Dipole Moment 10.06 ± 1.08 D
Volume 577.55 Å 3
Surface Area 460.66 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -4.28 ± eV
Point Group Symmetry C1
InChIKey WMTPJYLLGLWCDT-VWLOTQADSA-N
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