Geometry & MOs

Info

ID:

219799

PubChem CID:

85164908

Reduced:

N3O7C34H37 (1)

Stoich.:

A3B7C34D37 (1)

Weight, g/mol:

599.10793

ΔHf, kcal/mol:

-234.76

Dipole, Da:

3.7

IP(EA), eV:

 -8.71(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-8-oxo-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C(C1CCC2=CC=CC=N2)C(=O)N3C(COC3=O)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations