Geometry & MOs

Info

ID:	39908
PubChem CID:	8143181
Reduced:	ClNF3O3H17C18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	387.084906
ΔH_f, kcal/mol:	-253.9
Dipole, Da:	1.49
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(2-chloroanilino)-3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)[C@@](C(=O)OC)(C(F)(F)F)NC2=CC=CC=C2Cl

DOS

IR

Vibrations