Geometry & MOs

Info

ID:	138047
PubChem CID:	52303647
Reduced:	ClSN2F3O3C16H16 (1)
Stoich.:	ABC2D3E3F16G16 (1)
Weight, g/mol:	408.052226
ΔH_f, kcal/mol:	-255.93
Dipole, Da:	4.09
IP(EA), eV:	-8.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[C@@](C2=NC(=CS2)C)(C(F)(F)F)O

DOS

IR

Vibrations