Geometry & MOs

Info

ID:	244886
PubChem CID:	99431540
Reduced:	NO2F3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	414.095805
ΔH_f, kcal/mol:	-229.96
Dipole, Da:	6.88
IP(EA), eV:	-9.43(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-oxo-2-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations