Geometry & MOs

Info

ID:

51607

PubChem CID:

12014307

Reduced:

N2O4C23H28 (2)

Stoich.:

A2B4C23D28 (2)

Weight, g/mol:

1188.614722

ΔHf, kcal/mol:

-221.06

Dipole, Da:

6.0

IP(EA), eV:

 -7.68(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7E,19E,30E,42E,53E,65E)-5,22,28,45,51,68-hexamethyl-12,15,35,38,58,61-hexaoxa-9,18,32,41,55,64-hexazaheptacyclo[64.3.1.13,7.120,24.126,30.143,47.149,53]pentaheptaconta-1(69),3,5,7,19,21,23,26,28,30,42,44,46,49,51,53,65,67-octadecaene-70,71,72,73,74,75-hexone

Drug info:

PubChemData

Smile

CC1=C/C/2=C\NCCOCCOCCN/C=C\3/C(=O)C(=CC(=C3)C)CC4=CC(=C/C(=C\NCCOCCOCCN/C=C\5/C(=O)C(=CC(=C5)C)CC(=C1)C2=O)/C4=O)C

DOS

IR

Vibrations