Geometry & MOs

Info

ID:	403495
PubChem CID:	135060601
Reduced:	SO2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	254.090272
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	1.32
IP(EA), eV:	-9.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate

Drug info:

PubChemData

Smile

CCSC(=O)/C=C/C(C)(C)O

DOS

IR

Vibrations