1-[(Ethoxycarbonyl)Oxy]Ethyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C21H26N2O7S |
IUPAC Name | [(1r)-1-ethoxycarbonyloxyethyl] (2r,5s,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
Molecular Mass | 450.505 g·mol−1 |
Heat of Formation | -1118.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.71 ± 1.08 D |
Volume | 523.19 Å 3 |
Surface Area | 412.14 Å 2 |
HOMO Energy | -9.00 ± 0.55 eV |
LUMO Energy | -0.53 ± eV |
Point Group Symmetry | C1 |
InChIKey | LLOPNXSHSVOOOI-YMCQQKJTSA-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 |