Geometry & MOs

Info

ID:	138046
PubChem CID:	52303646
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	408.052226
ΔH_f, kcal/mol:	-139.94
Dipole, Da:	4.21
IP(EA), eV:	-8.2(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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

CCCCO[C@H](C)C(=O)NC1=CC=C(C=C1)OC2CCCC2

DOS

IR

Vibrations