Geometry & MOs

Info

ID:

433925

PubChem CID:

135174072

Reduced:

BrN3O3C20H22 (1)

Stoich.:

AB3C3D20E22 (1)

Weight, g/mol:

627.218322

ΔHf, kcal/mol:

-41.68

Dipole, Da:

1.79

IP(EA), eV:

 -9.33(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[3-(methylsulfanyloxymethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C2=NC3=C(O2)CN(C3)C(=O)CN4CCCCC4C=O

DOS

IR

Vibrations