Formula |
C13H15N5O2S2 |
IUPAC Name |
(2s)-n-methyl-3-phenyl-2-[(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide |
Molecular Mass |
337.421 g·mol−1 |
Heat of Formation |
5.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.81 ± 1.08 D |
Volume |
385.65 Å 3 |
Surface Area |
352.25 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-1.60 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide
- att
|
InChIKey |
RKWXKADYTDWZIJ-VIFPVBQESA-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
|
|
|