Geometry & MOs

Info

ID:

215713

PubChem CID:

85085134

Reduced:

NCl6O19C53H75 (1)

Stoich.:

AB6C19D53E75 (1)

Weight, g/mol:

1243.851933

ΔHf, kcal/mol:

-804.98

Dipole, Da:

4.59

IP(EA), eV:

 -8.68(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-ethyl-21-(1-hydroxy-2-methylhex-4-enyl)-3,7,13,16,22,25,28,31-octamethyl-6,12,27,30-tetrakis(2-methylpropyl)-9,24-di(propan-2-yl)-35-oxa-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.4.0]heptatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CCOCCOC(C(C1CCCCC1)NC(=O)OC(C)(C)C)C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)(C(=O)C(C(=C2C)C3(C)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C6CCCCC6)O

DOS

IR

Vibrations