Geometry & MOs

Info

ID:	30422
PubChem CID:	841306
Reduced:	SN3O3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	36.37
Dipole, Da:	10.66
IP(EA), eV:	-9.52(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations