2-[(2-{(1S,2S)-2-[(3,4-Dichlorobenzyl)Carbamoyl]Cyclohexyl}-6-Ethyl-4-Pyrimidinyl)Sulfanyl]-1H-Imidazole-5-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H25Cl2N5O3S
IUPAC Name 2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]sulfanylimidazole-4-carboxylic acid
Molecular Mass 534.458 g·mol−1
Heat of Formation -397.2 ± 16.7 kJ·mol−1
Dipole Moment 9.37 ± 1.08 D
Volume 604.3 Å 3
Surface Area 471.93 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey WDSSLFWZPVPKKI-HOTGVXAUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S