Geometry & MOs

Info

ID:	73467
PubChem CID:	48417795
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-104.8
Dipole, Da:	2.08
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)C2=CC=C(C=C2)CN(CC)CC

DOS

IR

Vibrations