Geometry & MOs

Info

ID:	158439
PubChem CID:	56463645
Reduced:	BrNS2O5C13H18 (1)
Stoich.:	ABC2D5E13F18 (1)
Weight, g/mol:	432.00046
ΔH_f, kcal/mol:	-199.65
Dipole, Da:	1.56
IP(EA), eV:	-9.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-(3-iodophenyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CS(=O)(=O)CC1=CC(=CC=C1)Br

DOS

IR

Vibrations