Geometry & MOs

Info

ID:	124149
PubChem CID:	50873525
Reduced:	ON2S2H18C24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	279.002386
ΔH_f, kcal/mol:	78.77
Dipole, Da:	7.64
IP(EA), eV:	-8.36(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54)/SC1=S

DOS

IR

Vibrations