Geometry & MOs

Info

ID:

128188

PubChem CID:

51034295

Reduced:

N4O4C21H26 (1)

Stoich.:

A4B4C21D26 (1)

Weight, g/mol:

1857.681693

ΔHf, kcal/mol:

-82.88

Dipole, Da:

3.86

IP(EA), eV:

 -9.36(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-nitro-N-[2-[[2,8,14,20-tetramethyl-6,10,12,16,18,22,24-heptakis[2-(2-nitroanilino)ethoxy]-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]ethyl]aniline

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)NO

DOS

IR

Vibrations