Geometry & MOs

Info

ID:	50677
PubChem CID:	12013253
Reduced:	S2O8H16C21 (1)
Stoich.:	A2B8C16D21 (1)
Weight, g/mol:	392.002445
ΔH_f, kcal/mol:	-219.83
Dipole, Da:	5.47
IP(EA), eV:	-9.12(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,4-bis(methoxycarbonyl)-5-thiophen-2-ylfuran-2-yl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/C(=O)C1=CC=C(S1)C2=C(C(=C(O2)C3=CC=CS3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations