Geometry & MOs

Info

ID:	84983
PubChem CID:	49871149
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	330.131468
ΔH_f, kcal/mol:	-81.66
Dipole, Da:	9.05
IP(EA), eV:	-7.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[(3,5-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SCCC(=O)N2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations