Formula |
C17H24N6O4S |
IUPAC Name |
(3r,6s)-n-[(1s)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(imidazol-3-ium-4-ylium-4-ylmethyl)-2-oxo-ethyl]-6-methyl-5-oxo-thiomorpholine-3-carboxamide |
Molecular Mass |
408.475 g·mol−1 |
Heat of Formation |
-610.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.64 ± 1.08 D |
Volume |
483.31 Å 3 |
Surface Area |
387.27 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
-0.27 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RSHMQGIMHQPMEB-BQUFFADESA-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
|
|
|