Geometry & MOs

Info

ID:	229347
PubChem CID:	87567452
Reduced:	S2C15H32 (1)
Stoich.:	A2B15C32 (1)
Weight, g/mol:	513.09978
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	1.2
IP(EA), eV:	-9.01(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCS)S

DOS

IR

Vibrations