Geometry & MOs

Info

ID:

308881

PubChem CID:

126531741

Reduced:

ClFO2N4C27H28 (1)

Stoich.:

ABC2D4E27F28 (1)

Weight, g/mol:

516.10885

ΔHf, kcal/mol:

-64.71

Dipole, Da:

3.89

IP(EA), eV:

 -8.81(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1R)-1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2,2-difluoroethyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=CC2=N1)C3=CN=C(N=C3)C(C)(C)O)N[C@H](C)C4=C(C=CC(=C4)CCO)F)Cl

DOS

IR

Vibrations