Geometry & MOs

Info

ID:

329364

PubChem CID:

126735508

Reduced:

NS4O22C58H79 (1)

Stoich.:

AB4C22D58E79 (1)

Weight, g/mol:

1035.465006

ΔHf, kcal/mol:

-947.22

Dipole, Da:

8.71

IP(EA), eV:

 -9.68(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[2-hydroxy-5-[6-[4-hydroxy-5-[2-(3-hydroxyphenyl)-1,3-dioxan-4-yl]pentyl]-2-(3-hydroxyphenyl)-1,3-dioxan-4-yl]pentyl]-6-[3-[2-(3-hydroxyphenyl)-6-methyl-1,3-dioxan-4-yl]propyl]-1,3-dioxan-2-yl]methoxy]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CC(OC(O1)C2=C(C=CC(=C2)S(=O)(=O)C)O)CCCC(CC(CC(CCCC3CC(OC(O3)C4=C(C=CC(=C4)S(=O)(=O)C)O)CCCC(CC5CCOC(O5)C6=C(C=CC(=C6)S(=O)(=O)C)O)O)OC(=O)NS(=O)(=O)C7=CC=C(C=C7)C)O)O

DOS

IR

Vibrations