Geometry & MOs

Info

ID:	31928
PubChem CID:	3723602
Reduced:	OCl2N2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	300.054419
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	3.6
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations