Geometry & MOs

Info

ID:

436439

PubChem CID:

135202879

Reduced:

NO4C28H35 (1)

Stoich.:

AB4C28D35 (1)

Weight, g/mol:

704.454657

ΔHf, kcal/mol:

-135.49

Dipole, Da:

3.63

IP(EA), eV:

 -8.58(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[7-[1-[3-[3-(2-ethyl-4-methylpentoxy)propylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylheptan-2-yl]phenyl] N-[3-(dimethylamino)propyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C/C(=N/OC(=O)C)/CCC(=O)OCC)CCC

DOS

IR

Vibrations