Geometry & MOs

Info

ID:	244830
PubChem CID:	99431395
Reduced:	BrNO2F3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	432.111934
ΔH_f, kcal/mol:	-189.8
Dipole, Da:	4.69
IP(EA), eV:	-9.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyridin-2-ylsulfanyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations