Geometry & MOs

Info

ID:

215626

PubChem CID:

85085000

Reduced:

SN4O13C58H106 (1)

Stoich.:

AB4C13D58E106 (1)

Weight, g/mol:

1098.414347

ΔHf, kcal/mol:

-800.78

Dipole, Da:

6.52

IP(EA), eV:

 -8.63(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N)OC(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations