Geometry & MOs
Info
ID: |
177155 |
PubChem CID: |
76142003 |
Reduced: |
NC24H37 (1) |
Stoich.: |
AB24C37 (1) |
Weight, g/mol: |
644.04539 |
ΔHf, kcal/mol: |
-39.09 |
Dipole, Da: |
2.33 |
IP(EA), eV: |
-8.78(0.59) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
7-[[2-(3,4-dihydroxyphenyl)-2-[(4-oxo-3H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[5-(hydroxymethyl)-1,3,4-thiadiazole-2-carbothioyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid