Geometry & MOs

Info

ID:	162212
PubChem CID:	57393956
Reduced:	ClO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	369.070261
ΔH_f, kcal/mol:	-221.32
Dipole, Da:	3.61
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC(C)C

DOS

IR

Vibrations