Geometry & MOs

Info

ID:	413164
PubChem CID:	135086109
Reduced:	S2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	366.095952
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	2.7
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-(1,3-dithiolan-2-yl)-5-methylphenyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=CC=C1C2SCCS2)C(=O)OCC

DOS

IR

Vibrations