Geometry & MOs

Info

ID:

51608

PubChem CID:

12014308

Reduced:

N2O4C23H28 (3)

Stoich.:

A2B4C23D28 (3)

Weight, g/mol:

800.472415

ΔHf, kcal/mol:

-64.69

Dipole, Da:

5.27

IP(EA), eV:

 -7.82(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,22,28,45-tetramethyl-12,15,35,38-tetraoxa-9,18,32,41-tetrazapentacyclo[41.3.1.13,7.120,24.126,30]pentaconta-1(47),3(50),4,6,20,22,24(49),26(48),27,29,43,45-dodecaene-47,48,49,50-tetrol

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)CC6=CC(=C/C(=C\NCCOCCOCCN/C=C\7/C(=O)C(=CC(=C7)C)CC(=C1)C2=O)/C6=O)C)/C4=O)C

DOS

IR

Vibrations