Geometry & MOs
Info
ID: |
182992 |
PubChem CID: |
76967242 |
Reduced: |
NO3C23H33 (1) |
Stoich.: |
AB3C23D33 (1) |
Weight, g/mol: |
1112.264502 |
ΔHf, kcal/mol: |
-99.08 |
Dipole, Da: |
1.36 |
IP(EA), eV: |
-8.66(0.13) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6R,7R)-3-[(E)-3-[(R)-(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R)-3-[(E)-3-[(S)-(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate