Geometry & MOs

Info

ID:	222420
PubChem CID:	85300643
Reduced:	SN2O5C14H14 (1)
Stoich.:	AB2C5D14E14 (1)
Weight, g/mol:	322.141638
ΔH_f, kcal/mol:	-159.68
Dipole, Da:	7.02
IP(EA), eV:	-9.22(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(3,4-dimethoxyphenyl)methylidene]butanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=O)C(=C2NC(=CS2)C(=O)OCC)C=C1

DOS

IR

Vibrations