Geometry & MOs

Info

ID:	229275
PubChem CID:	87567308
Reduced:	N2O2F7H21C25 (1)
Stoich.:	A2B2C7D21E25 (1)
Weight, g/mol:	514.149125
ΔH_f, kcal/mol:	-388.0
Dipole, Da:	3.35
IP(EA), eV:	-9.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)N)N[C@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)OC(F)(F)F

DOS

IR

Vibrations