Geometry & MOs

Info

ID:	313470
PubChem CID:	126614900
Reduced:	N2O3S3C16H22 (1)
Stoich.:	A2B3C3D16E22 (1)
Weight, g/mol:	365.039165
ΔH_f, kcal/mol:	-95.72
Dipole, Da:	2.61
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]but-3-enoic acid

Drug info:

PubChemData

Smile

CCN(CCO)C(=O)CCCN1C(S/C(=C/C2=CC=CS2)/C1=O)S

DOS

IR

Vibrations