Geometry & MOs

Info

ID:

426535

PubChem CID:

135145647

Reduced:

ClO3N5H18C21 (1)

Stoich.:

AB3C5D18E21 (1)

Weight, g/mol:

655.338322

ΔHf, kcal/mol:

-33.33

Dipole, Da:

8.23

IP(EA), eV:

 -8.83(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[[8-[3-[3-[[7-[[[(2R)-2-hydroxypropyl]amino]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)Cl)C3=CNC4=C3C=C(C=N4)N(CCCNC(=O)O)C=O

DOS

IR

Vibrations