Geometry & MOs

Info

ID:

215665

PubChem CID:

85085051

Reduced:

SN3O4C33H39 (2)

Stoich.:

AB3C4D33E39 (2)

Weight, g/mol:

1152.538763

ΔHf, kcal/mol:

-159.05

Dipole, Da:

12.45

IP(EA), eV:

 -8.81(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4,5-bis(phenylmethoxy)-2-[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]oxan-3-ol

Drug info:

PubChemData

Smile

CCCN1C(C(C(C(C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=S)NC5CC(C5)NC(=S)NCC6C(C(C(C(=O)N6CCC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations