Geometry & MOs

Info

ID:	244878
PubChem CID:	99431532
Reduced:	ClNF3O4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	459.142421
ΔH_f, kcal/mol:	-308.14
Dipole, Da:	5.98
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Cl)C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O)OC

DOS

IR

Vibrations