Geometry & MOs

Info

ID:	192285
PubChem CID:	78252978
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	6.16
IP(EA), eV:	-9.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(C(=O)N2)CN(CC3=CN=CC=C3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations