Geometry & MOs

Info

ID:	191986
PubChem CID:	78209862
Reduced:	NSC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	308.083078
ΔH_f, kcal/mol:	81.13
Dipole, Da:	8.83
IP(EA), eV:	-8.83(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(7-methoxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2C(=NC(=S)C(=C2C3=CC=CS3)C#N)C1

DOS

IR

Vibrations