Geometry & MOs

Info

ID:	56140
PubChem CID:	17422170
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	345.060569
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	5.12
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-3-(3-methoxypropyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2C(=O)OC)C

DOS

IR

Vibrations