Geometry & MOs

Info

ID:	223943
PubChem CID:	85336192
Reduced:	SO6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	379.159079
ΔH_f, kcal/mol:	-178.93
Dipole, Da:	6.52
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-acetamido-6-[3-(carbamoylamino)-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC

DOS

IR

Vibrations