Geometry & MOs

Info

ID:	150081
PubChem CID:	53789767
Reduced:	SO6C32H50 (1)
Stoich.:	AB6C32D50 (1)
Weight, g/mol:	332.067822
ΔH_f, kcal/mol:	-286.82
Dipole, Da:	9.64
IP(EA), eV:	-9.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(sulfanylmethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCC(COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(CCCCCCCC)O)O

DOS

IR

Vibrations