Geometry & MOs

Info

ID:	228745
PubChem CID:	87565658
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	527.18076
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	4.96
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CN=CO2

DOS

IR

Vibrations