Geometry & MOs

Info

ID:	66602
PubChem CID:	46504886
Reduced:	BrClSN2O3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	515.01843
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	9.49
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCC3=CC=C(C=C3)Cl)Br

DOS

IR

Vibrations