Geometry & MOs

Info

ID:	56041
PubChem CID:	17403910
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	356.080633
ΔH_f, kcal/mol:	33.89
Dipole, Da:	7.4
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1C2=C(CCN1CC(=O)NC3=CC=CC(=C3)C#N)SC=C2

DOS

IR

Vibrations