Geometry & MOs

Info

ID:	38282
PubChem CID:	8029033
Reduced:	SN2O6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	343.02111
ΔH_f, kcal/mol:	-212.29
Dipole, Da:	7.84
IP(EA), eV:	-9.23(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(5Z)-4-oxo-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCCC[C@H]3C(=O)O

DOS

IR

Vibrations