Geometry & MOs

Info

ID:	228899
PubChem CID:	87566150
Reduced:	O4C7H10 (1)
Stoich.:	A4B7C10 (1)
Weight, g/mol:	461.148175
ΔH_f, kcal/mol:	-172.3
Dipole, Da:	4.56
IP(EA), eV:	-11.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](/C=C/C(=O)O)OC(=O)C

DOS

IR

Vibrations