Geometry & MOs

Info

ID:

215702

PubChem CID:

85085110

Reduced:

O23C63H94 (1)

Stoich.:

A23B63C94 (1)

Weight, g/mol:

1219.815547

ΔHf, kcal/mol:

-917.63

Dipole, Da:

6.89

IP(EA), eV:

 -8.9(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-hydroxy-2-methylpropyl] acetate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6CC(C7(C(CCC7(C6(CC=C5C4)O)O)C(=O)C)C)OC(=O)C=CC8=CC=CC=C8)C)C)C)O)OC9CC(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)OC

DOS

IR

Vibrations