Geometry & MOs

Info

ID:	66612
PubChem CID:	46504900
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	8.8
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(3-methoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCC3=CC=CC=C3OC)Br

DOS

IR

Vibrations