Geometry & MOs

Info

ID:	413163
PubChem CID:	135086108
Reduced:	SO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	352.080301
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	1.84
IP(EA), eV:	-8.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-(1,3-dithiolan-2-yl)phenyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC(=O)C(CCC(C1=CC=C(C=C1)OC)C(=C2SCCS2)C(=O)C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations