Geometry & MOs

Info

ID:

215787

PubChem CID:

85085256

Reduced:

O5C23H44 (6)

Stoich.:

A5B23C44 (6)

Weight, g/mol:

2508.397428

ΔHf, kcal/mol:

-1567.62

Dipole, Da:

38.95

IP(EA), eV:

 -6.38(-2.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[37,38,39,40,41,42,43,44,45,46,47,48,49-trideca(hexanoyloxy)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36-yl] hexanoate

Drug info:

PubChemData

Smile

CCCCCCCCOCC1C2C(C(C(O1)OC3C(OC(C(C3OC)OCCCCCCCC)OC4C(OC(C(C4OC)OCCCCCCCC)OC5C(OC(C(C5OC)OCCCCCCCC)OC6C(OC(C(C6OC)OCCCCCCCC)OC7C(OC(O2)C(C7OC)OCCCCCCCC)COCCCCCCCC)COCCCCCCCC)COCCCCCCCC)COCCCCCCCC)COCCCCCCCC)OCCCCCCCC)OC

DOS

IR

Vibrations