Geometry & MOs

Info

ID:	31850
PubChem CID:	3720936
Reduced:	S2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	427.138819
ΔH_f, kcal/mol:	-101.54
Dipole, Da:	7.44
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methyl-2-oxo-4-pyrrolidin-1-ylquinolin-3-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O)OC

DOS

IR

Vibrations