Geometry & MOs

Info

ID:	120665
PubChem CID:	50739774
Reduced:	ClO2S2N3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	22.99
Dipole, Da:	8.97
IP(EA), eV:	-8.12(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1N2C(=O)/C(=C/C3=NC4=C(C=CC=C4Cl)C=C3)/SC2=S

DOS

IR

Vibrations