Geometry & MOs

Info

ID:	228657
PubChem CID:	87565493
Reduced:	NO2F5H10C16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	475.163825
ΔH_f, kcal/mol:	-263.15
Dipole, Da:	6.02
IP(EA), eV:	-9.97(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-(6-chloropyridin-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)F)C(=O)/C=C/C2=CN=C(C=C2)C(F)(F)F

DOS

IR

Vibrations