Geometry & MOs

Info

ID:	66581
PubChem CID:	46504847
Reduced:	BrSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	462.08241
ΔH_f, kcal/mol:	-102.04
Dipole, Da:	11.74
IP(EA), eV:	-8.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3,3-diethoxypropyl)-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)Br

DOS

IR

Vibrations