Geometry & MOs

Info

ID:

215739

PubChem CID:

85085170

Reduced:

SN11O11C69H117 (1)

Stoich.:

AB11C11D69E117 (1)

Weight, g/mol:

1309.862497

ΔHf, kcal/mol:

-475.44

Dipole, Da:

9.09

IP(EA), eV:

 -8.32(-1.62)

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]-2-methyl-4-phenoxybutyl] acetate

Drug info:

PubChemData

Smile

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)SCC2=CC=CC=C2)C)CC(C)C)C)C(C)C)CC(C)C)C)C

DOS

IR

Vibrations