Geometry & MOs

Info

ID:

433040

PubChem CID:

135173177

Reduced:

N2O2C11H14 (1)

Stoich.:

A2B2C11D14 (1)

Weight, g/mol:

951.497144

ΔHf, kcal/mol:

-68.38

Dipole, Da:

3.14

IP(EA), eV:

 -9.31(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-2-[3-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]oxiran-2-yl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2)C(=O)OC)N=C1C

DOS

IR

Vibrations