Geometry & MOs

Info

ID:	87659
PubChem CID:	49896336
Reduced:	NS2O6H21C25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	419.082744
ΔH_f, kcal/mol:	-151.8
Dipole, Da:	7.82
IP(EA), eV:	-8.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OS(=O)(=O)C4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations