Geometry & MOs

Info

ID:	244887
PubChem CID:	99431542
Reduced:	ClN2F3O3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	414.095805
ΔH_f, kcal/mol:	-256.79
Dipole, Da:	4.59
IP(EA), eV:	-10.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)CNC(=O)C2=CC(=CC=C2)Cl)(C(F)(F)F)O

DOS

IR

Vibrations