Geometry & MOs

Info

ID:	391189
PubChem CID:	135003464
Reduced:	NS2O3C7H9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	512.111602
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	4.18
IP(EA), eV:	-9.09(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,6E)-4-[bis(benzylsulfanyl)methylidene]-1,7-bis(furan-2-yl)hepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

CC(=O)C(=C1SCCCS1)[N+](=O)[O-]

DOS

IR

Vibrations