Geometry & MOs

Info

ID:	244828
PubChem CID:	99431386
Reduced:	NF3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	429.155178
ΔH_f, kcal/mol:	-219.71
Dipole, Da:	5.08
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-phenyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O)C3=CC=CC=C3

DOS

IR

Vibrations