Geometry & MOs

Info

ID:

190501

PubChem CID:

78012666

Reduced:

FSN5O7C38H56 (1)

Stoich.:

ABC5D7E38F56 (1)

Weight, g/mol:

566.221243

ΔHf, kcal/mol:

-369.93

Dipole, Da:

5.64

IP(EA), eV:

 -9.02(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[8-(3-aminopyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CCC(=O)O)CC2=C(C=C(C=C2)F)C)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C

DOS

IR

Vibrations