Geometry & MOs

Info

ID:	228768
PubChem CID:	87565717
Reduced:	O3C5H11 (2)
Stoich.:	A3B5C11 (2)
Weight, g/mol:	542.180425
ΔH_f, kcal/mol:	-293.7
Dipole, Da:	4.22
IP(EA), eV:	-9.98(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC(C)C(=O)O.C(COCCO)O

DOS

IR

Vibrations