Geometry & MOs

Info

ID:	144552
PubChem CID:	53384695
Reduced:	ClO3N4H15C23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	472.019738
ΔH_f, kcal/mol:	85.55
Dipole, Da:	5.62
IP(EA), eV:	-9.17(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylpiperazin-1-yl)-2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)C(C#N)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations