Geometry & MOs

Info

ID:	66568
PubChem CID:	46504818
Reduced:	BrSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	420.03546
ΔH_f, kcal/mol:	-148.54
Dipole, Da:	11.36
IP(EA), eV:	-8.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC)Br

DOS

IR

Vibrations