Geometry & MOs

Info

ID:	310174
PubChem CID:	126576128
Reduced:	ClN2F3O3H16C18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	329.000131
ΔH_f, kcal/mol:	-231.99
Dipole, Da:	3.76
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

COC(=C)C(C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl)(C(F)(F)F)O

DOS

IR

Vibrations