Geometry & MOs

Info

ID:	244836
PubChem CID:	99431414
Reduced:	ClNF3O3C20H21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	441.139922
ΔH_f, kcal/mol:	-270.96
Dipole, Da:	2.79
IP(EA), eV:	-9.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-methoxy-4-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]carbamoyl]phenoxy]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations