Geometry & MOs

Info

ID:	29587
PubChem CID:	835527
Reduced:	OH7C9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	283.141973
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	2.41
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-(3,4-dimethylanilino)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)OC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations