Geometry & MOs

Info

ID:	413166
PubChem CID:	135086111
Reduced:	S2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	308.054087
ΔH_f, kcal/mol:	-183.89
Dipole, Da:	3.95
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-[[2-(1,3-dithiolan-2-yl)phenyl]methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations