Geometry & MOs

Info

ID:	87714
PubChem CID:	49896754
Reduced:	SN2O2H14C17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	353.072179
ΔH_f, kcal/mol:	-14.58
Dipole, Da:	1.7
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=NC=C3)/SC2=O

DOS

IR

Vibrations