Formula |
C33H48N6O5S |
IUPAC Name |
n-[(1r)-2-[[(1s,2s,4r)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-morpholinoethylcarbamoyl)hept-6-ynyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]-1h-benzimidazole-2-carboxamide |
Molecular Mass |
640.836 g·mol−1 |
Heat of Formation |
-647.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.93 ± 1.08 D |
Volume |
800.06 Å 3 |
Surface Area |
613.22 Å 2 |
HOMO Energy |
-8.64 ± 0.55 eV |
LUMO Energy |
1.93 ± eV |
Point Group Symmetry |
C1
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InChIKey |
MDCNERSXJOKFTF-ZLPBPMGLSA-N |
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Elements |
H
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