Formula |
C27H32N4O6S |
IUPAC Name |
n-[(1s)-3-methyl-1-[[(1r,4s,7s)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide |
Molecular Mass |
540.631 g·mol−1 |
Heat of Formation |
-769.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.74 ± 1.08 D |
Volume |
641.31 Å 3 |
Surface Area |
470.55 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
-1.12 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- n-[(1s)-3-methyl-1-[[(4s,7s)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide
- n-[(2s)-4-methyl-1-[[(4s,7s)-7-methyl-3-oxo-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxo-pentan-2-yl]-1-benzofuran-2-carboxamide
|
InChIKey |
BWYBBMQLUKXECQ-JBACZVJFSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|