Geometry & MOs

Info

ID:

429980

PubChem CID:

135170035

Reduced:

FN2C24H33 (1)

Stoich.:

AB2C24D33 (1)

Weight, g/mol:

924.431814

ΔHf, kcal/mol:

-38.35

Dipole, Da:

4.42

IP(EA), eV:

 -8.7(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z)-1,1-dimethyl-2-[(2Z,4E)-7-methyl-6-methylidene-3-[4-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]phenyl]-7-[2-(3-methylsulfanylpropylamino)naphthalen-1-yl]octa-2,4-dienylidene]benzo[e]indol-3-yl]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCN1CC(CNC1C2=CC=C(C=C2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations