Geometry & MOs

Info

ID:	128576
PubChem CID:	51051169
Reduced:	PO11C29H33 (1)
Stoich.:	AB11C29D33 (1)
Weight, g/mol:	377.047027
ΔH_f, kcal/mol:	-474.32
Dipole, Da:	4.73
IP(EA), eV:	-9.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]benzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

C/C=C/C1=C(C(=C(C(=C1C(=O)OC)C(=O)OC)C(C2=CC=CC=C2)P3(=O)OCC(CO3)(C)C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations