Geometry & MOs

Info

ID:	178299
PubChem CID:	76310011
Reduced:	NC29H29 (1)
Stoich.:	AB29C29 (1)
Weight, g/mol:	363.974312
ΔH_f, kcal/mol:	89.09
Dipole, Da:	1.18
IP(EA), eV:	-9.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCNC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations