Geometry & MOs

Info

ID:

176536

PubChem CID:

76063780

Reduced:

O2N7C26H29 (1)

Stoich.:

A2B7C26D29 (1)

Weight, g/mol:

635.136922

ΔHf, kcal/mol:

84.69

Dipole, Da:

5.67

IP(EA), eV:

 -8.31(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-oxo-7-[[2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]-2-phenylacetyl]amino]-3-[1-(2H-tetrazol-5-ylsulfanyl)propyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CN(C(=O)N1CC2=CN=C(C=C2)C3=CC=CC=C3C4NNNN4)C5=CC=CC=C5OC

DOS

IR

Vibrations