Geometry & MOs

Info

ID:	337392
PubChem CID:	127257077
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	428.122835
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	4.74
IP(EA), eV:	-9.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5Z)-5-[(2Z)-2-(1-ethylquinolin-4-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)C(=O)N)OC(=O)N2CCSC2

DOS

IR

Vibrations