Geometry & MOs

Info

ID:	381695
PubChem CID:	134972500
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	202.084124
ΔH_f, kcal/mol:	-153.03
Dipole, Da:	4.97
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-2-methyl-6-prop-2-ynoxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CN1[C@@H]2CCC1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations