Geometry & MOs

Info

ID:	229149
PubChem CID:	87567065
Reduced:	ClNO3F4H12C16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	496.128916
ΔH_f, kcal/mol:	-277.7
Dipole, Da:	4.0
IP(EA), eV:	-9.93(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-3-(5-chloropyrazin-2-yl)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCC2=CN=C(C=C2)Cl)OC(F)F)OC(F)F

DOS

IR

Vibrations