Geometry & MOs

Info

ID:	36347
PubChem CID:	8002023
Reduced:	NSO3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	381.055005
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	5.34
IP(EA), eV:	-8.94(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations