Geometry & MOs

Info

ID:	202551
PubChem CID:	79686010
Reduced:	BrIOSN2H8C11 (1)
Stoich.:	ABCDE2F8G11 (1)
Weight, g/mol:	305.023705
ΔH_f, kcal/mol:	35.45
Dipole, Da:	4.15
IP(EA), eV:	-8.81(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-nitro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)N)NC(=O)C2=CSC(=C2)I

DOS

IR

Vibrations