Geometry & MOs

Info

ID:	312878
PubChem CID:	126609404
Reduced:	SN2O6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	362.955741
ΔH_f, kcal/mol:	-189.85
Dipole, Da:	2.52
IP(EA), eV:	-9.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2,6-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NC3=CC=CC=C3C(=O)O

DOS

IR

Vibrations