Geometry & MOs

Info

ID:	328860
PubChem CID:	126728390
Reduced:	SO5C17H34 (1)
Stoich.:	AB5C17D34 (1)
Weight, g/mol:	274.041213
ΔH_f, kcal/mol:	-289.28
Dipole, Da:	6.89
IP(EA), eV:	-11.1(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[5-(2-methyl-1,4-dihydropyrimidin-6-yl)thiophen-2-yl]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCCCCC(=O)O)S(=O)(=O)O

DOS

IR

Vibrations