Geometry & MOs

Info

ID:	228909
PubChem CID:	87566187
Reduced:	NSC5O6H15 (1)
Stoich.:	ABC5D6E15 (1)
Weight, g/mol:	495.174531
ΔH_f, kcal/mol:	-276.71
Dipole, Da:	8.63
IP(EA), eV:	-10.14(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,3-difluorophenyl)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]-N-methylacetamide

Drug info:

PubChemData

Smile

COCCOCCOS(=O)(=O)[O-].[NH4+]

DOS

IR

Vibrations