Geometry & MOs

Info

ID:	186958
PubChem CID:	77508166
Reduced:	N3O8C30H41 (1)
Stoich.:	A3B8C30D41 (1)
Weight, g/mol:	540.190164
ΔH_f, kcal/mol:	-294.49
Dipole, Da:	10.45
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(1,2,3,4,5,6-hexahydroxyhexoxy)-3,4,6-trihydroxyoxan-2-yl]methoxy]hexane-1,2,3,4,5,6-hexol

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C2(CCN(CC2C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCCOC)C4CC4)C(=O)O)O

DOS

IR

Vibrations