Geometry & MOs

Info

ID:	85105
PubChem CID:	49871796
Reduced:	ClSO2N5H24C30 (1)
Stoich.:	ABC2D5E24F30 (1)
Weight, g/mol:	553.133924
ΔH_f, kcal/mol:	59.21
Dipole, Da:	3.09
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chlorophenyl)-6-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC(=C3)C4=CC=C(C=C4)Cl)N5C(SCC5=O)C6=CC=C(C=C6)O

DOS

IR

Vibrations