Geometry & MOs

Info

ID:	66558
PubChem CID:	46504793
Reduced:	BrSN2O3C16H21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	496.06676
ΔH_f, kcal/mol:	-109.04
Dipole, Da:	9.33
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3CCCC3)Br

DOS

IR

Vibrations