Geometry & MOs

Info

ID:

215771

PubChem CID:

85085234

Reduced:

N12O20C81H128 (1)

Stoich.:

A12B20C81D128 (1)

Weight, g/mol:

1604.766889

ΔHf, kcal/mol:

-985.84

Dipole, Da:

2.83

IP(EA), eV:

 -9.26(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[40-(hydroxymethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,20,25,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-30-yl]methanol

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCCC1C(=O)NC(C)C(=O)N2CCCC2C(=O)N(C)C(C(C)OC(=O)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)OC(=O)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)CC)C(=O)N3CCCCC3C(=O)OC)NC(=O)C4CCCN4C(=O)C(C(C)C)N(C)C(=O)C(CC5=CC=CC=C5)OC(=O)C

DOS

IR

Vibrations