Geometry & MOs
Info
ID: |
176595 |
PubChem CID: |
76070302 |
Reduced: |
ClNO3H14C15 (1) |
Stoich.: |
ABC3D14E15 (1) |
Weight, g/mol: |
582.124977 |
ΔHf, kcal/mol: |
-55.5 |
Dipole, Da: |
3.43 |
IP(EA), eV: |
-10.07(-2.03) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[(4-amino-3-ethyl-2-imino-4,5-dihydropyrimidin-6-yl)sulfanylmethyl]-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid