Geometry & MOs

Info

ID:

229695

PubChem CID:

87568500

Reduced:

O5C12H26 (1)

Stoich.:

A5B12C26 (1)

Weight, g/mol:

1251.841762

ΔHf, kcal/mol:

-274.1

Dipole, Da:

6.86

IP(EA), eV:

-9.98(0.39)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3R,6S,9S,12S,15S,18S,21R,24S,33S)-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-33-(1-methoxyethyl)-1,4,10,13,19,21,24,28-octamethyl-15,18,27,30-tetrakis(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CCCCOC(=O)CCCO.C(CCO)CO

DOS

IR

Vibrations