Geometry & MOs

Info

ID:

424193

PubChem CID:

135121707

Reduced:

CrN2Na2S2O9H14C20 (1)

Stoich.:

AB2C2D2E9F14G20 (1)

Weight, g/mol:

524.040589

ΔHf, kcal/mol:

-413.85

Dipole, Da:

12.55

IP(EA), eV:

 -8.09(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C\2C(=C1)C(=CC(=O)/C2=N/NC3=C(C4=C(C=CC=C4S(=O)(=O)[O-])C=C3)O)S(=O)(=O)[O-].O.[Na+].[Na+].[Cr+2]

DOS

IR

Vibrations