Geometry & MOs

Info

ID:

426566

PubChem CID:

135148627

Reduced:

BrClO3N4C22H22 (1)

Stoich.:

ABC3D4E22F22 (1)

Weight, g/mol:

649.316524

ΔHf, kcal/mol:

-71.42

Dipole, Da:

4.44

IP(EA), eV:

 -9.37(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[cyclobutyl(methyl)amino]-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazole-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N2C3=CC(=C(C=C3C(=NC2=O)N4CCN(CC4)C(=O)O)Cl)Br

DOS

IR

Vibrations