Geometry & MOs

Info

ID:

181551

PubChem CID:

76760607

Reduced:

ON5F6C24H27 (1)

Stoich.:

AB5C6D24E27 (1)

Weight, g/mol:

675.411457

ΔHf, kcal/mol:

-333.34

Dipole, Da:

4.73

IP(EA), eV:

 -9.28(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methylamino]-1-adamantyl]methylamino]-2-[(2-methylsulfanylpyridin-3-yl)methylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1C2CC3CC(C2)(CC1C3N)CNC4=NC(=NC=C4C(F)(F)F)NCC5=CC=CC=C5OC(F)(F)F

DOS

IR

Vibrations