Geometry & MOs
Info
ID: |
179436 |
PubChem CID: |
76483163 |
Reduced: |
ON3C17H21 (1) |
Stoich.: |
AB3C17D21 (1) |
Weight, g/mol: |
816.209478 |
ΔHf, kcal/mol: |
19.7 |
Dipole, Da: |
2.12 |
IP(EA), eV: |
-8.68(-0.16) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4-nitrophenyl)methyl 3-[5-[2-[carbamoyl(1-hydroxyethyl)amino]-1-methylsulfanyl-2-oxoethyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate