Geometry & MOs

Info

ID:	50676
PubChem CID:	12013251
Reduced:	S2O6H12C17 (1)
Stoich.:	A2B6C12D17 (1)
Weight, g/mol:	460.02866
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	4.23
IP(EA), eV:	-9.27(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[5-[(E)-4-methoxy-4-oxobut-2-enoyl]thiophen-2-yl]-5-thiophen-2-ylfuran-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC(=C1C(=O)OC)C2=CC=C(S2)C=O)C3=CC=CS3

DOS

IR

Vibrations