Geometry & MOs

Info

ID:

221742

PubChem CID:

85286097

Reduced:

OC3H4 (11)

Stoich.:

AB3C4 (11)

Weight, g/mol:

616.098094

ΔHf, kcal/mol:

-430.01

Dipole, Da:

7.61

IP(EA), eV:

 -9.52(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C(C(C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)OC7C(C(C(CO7)O)O)O)(C)C

DOS

IR

Vibrations