Geometry & MOs

Info

ID:

433919

PubChem CID:

135174066

Reduced:

PO4N6C25H31 (1)

Stoich.:

AB4C6D25E31 (1)

Weight, g/mol:

648.2728

ΔHf, kcal/mol:

-114.19

Dipole, Da:

4.3

IP(EA), eV:

 -8.83(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(N[C@H](C)COCC3=CC=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations