Formula |
C31H30N4O4S2 |
IUPAC Name |
n-[3-[5-[(e)-n-(1,3-benzothiazol-2-ylamino)-c-methyl-carbonimidoyl]-2-furyl]phenyl]sulfonyl-6-phenyl-hexanamide |
Molecular Mass |
586.724 g·mol−1 |
Heat of Formation |
-125.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.83 ± 1.08 D |
Volume |
682.54 Å 3 |
Surface Area |
598.6 Å 2 |
HOMO Energy |
-8.47 ± 0.55 eV |
LUMO Energy |
-1.13 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZGVBPNIFKPDHBC-STKMKYKTSA-N |
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Elements |
H
C
S
O
N
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