Geometry & MOs

Info

ID:	413165
PubChem CID:	135086110
Reduced:	SO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	382.090866
ΔH_f, kcal/mol:	-150.92
Dipole, Da:	3.38
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-(1,3-dithiolan-2-yl)-4-methoxyphenyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=C(C=CC(=C1)C)C2SCCS2)C(=O)OCC

DOS

IR

Vibrations