Geometry & MOs

Info

ID:	50675
PubChem CID:	12013249
Reduced:	S2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	376.00753
ΔH_f, kcal/mol:	-132.95
Dipole, Da:	3.04
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(5-formylthiophen-2-yl)-5-thiophen-2-ylfuran-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1[C@@H](OC(=C1C(=O)OC)C2=CSC=C2)C3=CC=CS3

DOS

IR

Vibrations