Geometry & MOs

Info

ID:	1159
PubChem CID:	3874
Reduced:	O12C23H36 (1)
Stoich.:	A12B23C36 (1)
Weight, g/mol:	504.220677
ΔH_f, kcal/mol:	-531.43
Dipole, Da:	2.38
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-methoxy-5-pentylphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=CC(=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)OC)O

DOS

IR

Vibrations