Geometry & MOs

Info

ID:	120701
PubChem CID:	50740699
Reduced:	SN3O3H21C26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	443.110376
ΔH_f, kcal/mol:	28.58
Dipole, Da:	6.25
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5O

DOS

IR

Vibrations