Geometry & MOs

Info

ID:	66553
PubChem CID:	46504786
Reduced:	BrSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	509.96274
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	4.36
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations