Geometry & MOs

Info

ID:	66579
PubChem CID:	46504844
Reduced:	BrSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-98.57
Dipole, Da:	8.43
IP(EA), eV:	-8.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-ethoxyphenyl)-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=CC=C4OC)Br

DOS

IR

Vibrations