Ethyl N-[[4-[(3Z)-3-(4-Hydroxy-3-Isopropyl-6-Oxo-Cyclohexa-2,4-Dien-1-Ylidene)-5-Thioxo-1,2,4-Triazolidin-4-Yl]Phenyl]Methyl]Carbamate
Properties
Property | Value |
---|---|
Formula | C21H24N4O4S |
IUPAC Name | ethyl n-[[4-[(3z)-3-(4-hydroxy-3-isopropyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]phenyl]methyl]carbamate |
Molecular Mass | 428.505 g·mol−1 |
Heat of Formation | -371.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.35 ± 1.08 D |
Volume | 504.21 Å 3 |
Surface Area | 392.16 Å 2 |
HOMO Energy | -8.59 ± 0.55 eV |
LUMO Energy | -1.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | CCWAFBYXFRWBRK-KNTRCKAVSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |