Geometry & MOs

Info

ID:	24189
PubChem CID:	608367
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	5.17
Dipole, Da:	2.16
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-acetyl-3-phenylpyrazol-4-yl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN=C1N(C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C(=O)C)S1)CC

DOS

IR

Vibrations