Geometry & MOs

Info

ID:	66731
PubChem CID:	46505157
Reduced:	BrSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	543.9891
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	9.15
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-methyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NC3CCCC4=CC=CC=C34)Br

DOS

IR

Vibrations