Geometry & MOs

Info

ID:	120700
PubChem CID:	50740698
Reduced:	ClSO3N4H25C28 (1)
Stoich.:	ABC3D4E25F28 (1)
Weight, g/mol:	455.130363
ΔH_f, kcal/mol:	15.5
Dipole, Da:	9.34
IP(EA), eV:	-8.48(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2CC(=NN2C3=C(SC(=O)N3)/C=C/4\C=C(C=CC4=O)Cl)C5=CC=C(C=C5)OC

DOS

IR

Vibrations