Geometry & MOs

Info

ID:	162218
PubChem CID:	57393972
Reduced:	O2N3H17C21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	353.099811
ΔH_f, kcal/mol:	28.36
Dipole, Da:	1.68
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CC(=C3)N=CC4=CC=CO4)C

DOS

IR

Vibrations