Geometry & MOs

Info

ID:	229274
PubChem CID:	87567307
Reduced:	OF3N3H10C11 (2)
Stoich.:	AB3C3D10E11 (2)
Weight, g/mol:	514.149125
ΔH_f, kcal/mol:	-305.05
Dipole, Da:	2.77
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC(=C2C3=NC4=C(C=C3)C(=NC(=N4)N)NCCOC(=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations