Geometry & MOs

Info

ID:	140761
PubChem CID:	52755205
Reduced:	ClN2O2F3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	457.182398
ΔH_f, kcal/mol:	-212.95
Dipole, Da:	0.94
IP(EA), eV:	-9.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)sulfanyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OCC(F)(F)F)NC(=O)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations