Geometry & MOs

Info

ID:	399018
PubChem CID:	135037060
Reduced:	SeC2O2H7 (1)
Stoich.:	AB2C2D7 (1)
Weight, g/mol:	273.097428
ΔH_f, kcal/mol:	7.64
Dipole, Da:	1.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753903
Charge, e:	-1

Chem-info

IUPAC name:

[(3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-2-oxooxan-3-yl]methanolate

Drug info:

PubChemData

Smile

C[Se](C)OO

DOS

IR

Vibrations