Geometry & MOs

Info

ID:	244877
PubChem CID:	99431531
Reduced:	N2F3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	459.142421
ΔH_f, kcal/mol:	-230.2
Dipole, Da:	6.17
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)(C(F)(F)F)O

DOS

IR

Vibrations