Geometry & MOs

Info

ID:

308946

PubChem CID:

126532411

Reduced:

ClOF2N5H22C25 (1)

Stoich.:

ABC2D5E22F25 (1)

Weight, g/mol:

548.135064

ΔHf, kcal/mol:

-35.45

Dipole, Da:

6.82

IP(EA), eV:

 -8.68(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)NC2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=N4)N5CCC(C5)O)F)Cl

DOS

IR

Vibrations