Geometry & MOs
Info
ID: |
178777 |
PubChem CID: |
76381244 |
Reduced: |
OC7H10 (2) |
Stoich.: |
AB7C10 (2) |
Weight, g/mol: |
854.189428 |
ΔHf, kcal/mol: |
-64.49 |
Dipole, Da: |
0.93 |
IP(EA), eV: |
-8.61(0.31) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
7-[[2-[4-[(2-amino-2-carboxyethoxy)carbonylamino]phenyl]-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid