Geometry & MOs

Info

ID:	25253
PubChem CID:	621648
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	289.956364
ΔH_f, kcal/mol:	42.17
Dipole, Da:	4.02
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-methyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OCC3=NC(=CN32)C4=CC=CC=C4

DOS

IR

Vibrations