Geometry & MOs

Info

ID:

435117

PubChem CID:

135181011

Reduced:

Cl2O4N5C26H27 (1)

Stoich.:

A2B4C5D26E27 (1)

Weight, g/mol:

527.149095

ΔHf, kcal/mol:

-57.84

Dipole, Da:

3.72

IP(EA), eV:

 -8.41(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-methyloxolan-3-yl]amino]-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC(=C3C=C(N=CC3=C2)N[C@@H]4COC[C@@H]4NC(=O)C=C)N5CCC5)Cl)OC

DOS

IR

Vibrations