Geometry & MOs

Info

ID:	54748
PubChem CID:	17389200
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	404.018481
ΔH_f, kcal/mol:	-6.97
Dipole, Da:	7.1
IP(EA), eV:	-9.45(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3,5-bis(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC4=NC(=O)C5=CC=CC=C54

DOS

IR

Vibrations