Geometry & MOs

Info

ID:

188322

PubChem CID:

77699968

Reduced:

ClSF2N3O4H16C20 (1)

Stoich.:

ABC2D3E4F16G20 (1)

Weight, g/mol:

389.209472

ΔHf, kcal/mol:

-152.07

Dipole, Da:

4.16

IP(EA), eV:

 -8.87(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hydron;N-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=C(S2)COC3=C(C(=CC=C3)Cl)C4NC(=O)ON4)C(F)F

DOS

IR

Vibrations