Geometry & MOs

Info

ID:	222447
PubChem CID:	85300752
Reduced:	FO2N6C15H21 (1)
Stoich.:	AB2C6D15E21 (1)
Weight, g/mol:	330.131468
ΔH_f, kcal/mol:	-79.65
Dipole, Da:	4.69
IP(EA), eV:	-9.09(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1C(C2C(N1)C(=O)NC(N2)N=C(N)N)C(CO)C3=CC=CC=C3F

DOS

IR

Vibrations