Geometry & MOs

Info

ID:	177393
PubChem CID:	76180185
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	473.027076
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	13.28
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-hydroxypropylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C(=C2C(=C(C(=O)N(C2=O)C)C#N)C)O

DOS

IR

Vibrations