Geometry & MOs

Info

ID:	29418
PubChem CID:	833682
Reduced:	S2N4H10C13 (1)
Stoich.:	A2B4C10D13 (1)
Weight, g/mol:	336.093249
ΔH_f, kcal/mol:	98.47
Dipole, Da:	4.77
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-methoxyphenyl)-2-quinolin-8-yl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1C(=C2N(C3=CC=CC=C3S2)C(=C1C(=S)N)N)C#N

DOS

IR

Vibrations