Geometry & MOs

Info

ID:

190244

PubChem CID:

77975976

Reduced:

SN3O6C35H50 (1)

Stoich.:

AB3C6D35E50 (1)

Weight, g/mol:

667.154385

ΔHf, kcal/mol:

-180.66

Dipole, Da:

9.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751188

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylate

Drug info:

PubChemData

Smile

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C=CC2C(C(=O)N2S(=O)(=O)O)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations