Geometry & MOs

Info

ID:

186267

PubChem CID:

77413398

Reduced:

O3C11H15 (2)

Stoich.:

A3B11C15 (2)

Weight, g/mol:

617.115124

ΔHf, kcal/mol:

-251.7

Dipole, Da:

3.73

IP(EA), eV:

 -8.97(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[2-(1H-benzimidazole-2-carbonylamino)phenyl]acetyl]amino]-8-oxo-3-[(6-oxo-3H-pyridazin-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)OC(=CCC2CCC(C2CC(=O)O)O)COC3=CC=CC=C3

DOS

IR

Vibrations