Geometry & MOs

Info

ID:

215555

PubChem CID:

85084900

Reduced:

SN4O14C52H92 (1)

Stoich.:

AB4C14D52E92 (1)

Weight, g/mol:

1029.466327

ΔHf, kcal/mol:

-778.98

Dipole, Da:

12.43

IP(EA), eV:

 -9.12(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations