Geometry & MOs

Info

ID:	84980
PubChem CID:	49871122
Reduced:	SN2O2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	304.071366
ΔH_f, kcal/mol:	4.99
Dipole, Da:	3.13
IP(EA), eV:	-8.41(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC2=CC3=CC=CC=C3C(=O)N2C4=CSC=C41

DOS

IR

Vibrations