Geometry & MOs

Info

ID:	218594
PubChem CID:	85089660
Reduced:	PO9C22H43 (1)
Stoich.:	AB9C22D43 (1)
Weight, g/mol:	482.324354
ΔH_f, kcal/mol:	-519.53
Dipole, Da:	5.74
IP(EA), eV:	-9.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-dodecoxy-2,3,6-trimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)P(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

DOS

IR

Vibrations