5-{(3As,4S,6Ar)-1-[(Benzyloxy)Carbonyl]-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl}Pentanoic Acid
Properties
Property | Value |
---|---|
Formula | C18H22N2O5S |
IUPAC Name | 5-[(3ar,6s,6as)-3-benzyloxycarbonyl-2-oxo-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-6-yl]pentanoic acid |
Molecular Mass | 378.443 g·mol−1 |
Heat of Formation | -835.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.36 ± 1.08 D |
Volume | 440.37 Å 3 |
Surface Area | 390.67 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | 2.61 ± eV |
Point Group Symmetry | C1 |
InChIKey | BWNGWJMPVBQLHD-DZKIICNBSA-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 |