Geometry & MOs

Info

ID:	66660
PubChem CID:	46505016
Reduced:	BrClSN2O4H18C19 (1)
Stoich.:	ABCD2E4F18G19 (1)
Weight, g/mol:	430.05619
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	8.68
IP(EA), eV:	-8.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-(3-ethoxypropyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations