Geometry & MOs

Info

ID:	68992
PubChem CID:	46515020
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	465.135842
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	8.08
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-benzylpyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1(CCN(CC1)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations