Geometry & MOs

Info

ID:	143091
PubChem CID:	53144826
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	4.53
IP(EA), eV:	-8.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5,6-tetramethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1C=C(C2=C1N=CC=C2)CCNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations