Geometry & MOs

Info

ID:	244834
PubChem CID:	99431409
Reduced:	N2F3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	415.116206
ΔH_f, kcal/mol:	-307.86
Dipole, Da:	3.08
IP(EA), eV:	-9.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NCC[C@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations