Geometry & MOs

Info

ID:	28845
PubChem CID:	830022
Reduced:	N3H7C8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	162.93
Dipole, Da:	9.68
IP(EA), eV:	-8.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C=CN2C(=NN=N2)C1=NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations