Geometry & MOs

Info

ID:	229799
PubChem CID:	87569087
Reduced:	SF3N3O6H26C30 (1)
Stoich.:	AB3C3D6E26F30 (1)
Weight, g/mol:	492.127247
ΔH_f, kcal/mol:	-299.16
Dipole, Da:	5.8
IP(EA), eV:	-8.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC(C4=CC=CC=C43)(C(CNC(=O)C(F)(F)F)C5=CC=CC=N5)C(=O)OC

DOS

IR

Vibrations