Geometry & MOs

Info

ID:	77579
PubChem CID:	49655554
Reduced:	ClSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	3.27
IP(EA), eV:	-8.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromoindol-1-yl)-N-(3,5-dimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations