Geometry & MOs

Info

ID:	146427
PubChem CID:	53687545
Reduced:	N2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	463.063604
ΔH_f, kcal/mol:	45.4
Dipole, Da:	2.88
IP(EA), eV:	-9.1(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methyl-4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2C3=CC=CC=C3CCN2

DOS

IR

Vibrations