Geometry & MOs

Info

ID:

191088

PubChem CID:

78102954

Reduced:

N3O6C41H47 (1)

Stoich.:

A3B6C41D47 (1)

Weight, g/mol:

1579.93132

ΔHf, kcal/mol:

-219.44

Dipole, Da:

5.94

IP(EA), eV:

 -9.28(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8,14,32,38-tetrakis(3-aminopropyl)-26-benzyl-46-hydroxy-11,29,41-tris(2-methylpropyl)-5,17,35-tri(propan-2-yl)-45-oxa-3,6,9,12,15,18,24,27,30,33,36,39,42-tridecazatricyclo[42.1.1.020,24]hexatetracontane-4,7,10,13,16,19,25,28,31,34,37,40,43-tridecone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(CC(=O)OC(C)(C)C)O

DOS

IR

Vibrations