Geometry & MOs

Info

ID:

233623

PubChem CID:

91146302

Reduced:

O6H22C35 (1)

Stoich.:

A6B22C35 (1)

Weight, g/mol:

980.681345

ΔHf, kcal/mol:

-72.98

Dipole, Da:

5.35

IP(EA), eV:

 -10.05(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,14,17,20-hexone;ethane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations