Geometry & MOs

Info

ID:	66189
PubChem CID:	46500401
Reduced:	N3O3H11C16 (1)
Stoich.:	A3B3C11D16 (1)
Weight, g/mol:	378.086056
ΔH_f, kcal/mol:	-2.36
Dipole, Da:	6.19
IP(EA), eV:	-9.26(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(1-ethyl-7-methylquinolin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC\2=C(C=CC(=O)/C2=N/NC3=CC=C(C=C3)C(=O)O)N=C1

DOS

IR

Vibrations