Geometry & MOs

Info

ID:

176742

PubChem CID:

76091329

Reduced:

O2N3C9H9 (1)

Stoich.:

A2B3C9D9 (1)

Weight, g/mol:

793.086544

ΔHf, kcal/mol:

-15.15

Dipole, Da:

6.56

IP(EA), eV:

 -9.72(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-[[2-(2-formylhydrazinyl)-2-oxoacetyl]amino]acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C#N)C1=CC=CC=N1

DOS

IR

Vibrations