Geometry & MOs

Info

ID:

441800

PubChem CID:

135244922

Reduced:

Cl2N4O6C27H28 (1)

Stoich.:

A2B4C6D27E28 (1)

Weight, g/mol:

938.250315

ΔHf, kcal/mol:

-207.37

Dipole, Da:

5.47

IP(EA), eV:

 -8.44(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-(diaminomethylidene)-3-[4-[4-[[(2E,4E)-5-[[[4-[4-[(E)-3-(diaminomethylideneamino)-2-methyl-3-oxoprop-1-enyl]-2,6-difluorophenoxy]phenyl]sulfonylamino]methyl]-2-methylhepta-2,4,6-trienyl]sulfamoyl]phenoxy]-3,5-difluorophenyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)OCC(C(N1CCN(CC1)C2=CC=CC(=C2)C3=NC(=NC4=C3C=C(C=C4)Cl)Cl)OC(=O)C)OC(=O)C

DOS

IR

Vibrations