Geometry & MOs

Info

ID:	50679
PubChem CID:	12013255
Reduced:	SO4H8C10 (2)
Stoich.:	AB4C8D10 (2)
Weight, g/mol:	308.035459
ΔH_f, kcal/mol:	-245.1
Dipole, Da:	4.59
IP(EA), eV:	-9.07(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[5-[(E)-4-methoxy-4-oxobut-2-enoyl]thiophen-2-yl]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations