Geometry & MOs

Info

ID:

219783

PubChem CID:

85164892

Reduced:

N5O5C34H39 (1)

Stoich.:

A5B5C34D39 (1)

Weight, g/mol:

597.106199

ΔHf, kcal/mol:

-159.71

Dipole, Da:

6.29

IP(EA), eV:

 -8.61(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3,3-dimethyl-6-[(4-methylphenyl)sulfonylamino]sulfanylimino-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(CNC(=O)CCC(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)N

DOS

IR

Vibrations