Geometry & MOs

Info

ID:	48544
PubChem CID:	11108082
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	259.909414
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	4.48
IP(EA), eV:	-9.64(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(4-formyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(COCC1=CC=CC=C1)[C@H](CCC=C)CC=O

DOS

IR

Vibrations