Geometry & MOs

Info

ID:	120662
PubChem CID:	50739445
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	450.070799
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	2.48
IP(EA), eV:	-10.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-oxochromen-6-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)OC)N1C(=O)C2C3CC(C2C1=O)C=C3

DOS

IR

Vibrations