Geometry & MOs

Info

ID:	240629
PubChem CID:	93616852
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	291.095417
ΔH_f, kcal/mol:	-175.83
Dipole, Da:	10.22
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

COCCOC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCCNC2=O

DOS

IR

Vibrations