Geometry & MOs

Info

ID:	68573
PubChem CID:	46508673
Reduced:	FN2S2O3C18H21 (1)
Stoich.:	AB2C2D3E18F21 (1)
Weight, g/mol:	398.091198
ΔH_f, kcal/mol:	-132.2
Dipole, Da:	7.19
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN(CC2=CC=CS2)C3CCS(=O)(=O)C3)F

DOS

IR

Vibrations