Geometry & MOs

Info

ID:

433961

PubChem CID:

135174108

Reduced:

ON3C19H21 (1)

Stoich.:

AB3C19D21 (1)

Weight, g/mol:

628.157886

ΔHf, kcal/mol:

58.27

Dipole, Da:

1.39

IP(EA), eV:

 -9.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-1-[2-[3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CC=C2)OCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations