Geometry & MOs

Info

ID:

312004

PubChem CID:

126600740

Reduced:

ClSN5O6C17H26 (1)

Stoich.:

ABC5D6E17F26 (1)

Weight, g/mol:

487.237498

ΔHf, kcal/mol:

-249.19

Dipole, Da:

6.94

IP(EA), eV:

 -9.5(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-(4-cyclopropyl-5-fluoro-6-methylpyridin-2-yl)-4-N-(1,5-dimethylpyrazol-3-yl)-5-(3-methylpiperazin-1-yl)pyrimidine-2,4-diamine;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@H]1CC[C@@H]([C@@H](C1)N)NC(=O)C(=O)NC2=NC=C(C=C2)Cl.CS(=O)(=O)O

DOS

IR

Vibrations