Geometry & MOs

Info

ID:

222133

PubChem CID:

85294584

Reduced:

O14C47H54 (1)

Stoich.:

A14B47C54 (1)

Weight, g/mol:

845.345835

ΔHf, kcal/mol:

-507.23

Dipole, Da:

3.51

IP(EA), eV:

 -9.22(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[6-(5-azidopentoxymethyl)-3,4-bis(phenylmethoxy)-5-(pyridin-4-ylmethoxy)oxan-2-yl]oxyethyl]-1-(benzenesulfonyl)indole

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)COC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations