Geometry & MOs

Info

ID:

441607

PubChem CID:

135237139

Reduced:

SF2O3N4C19H20 (1)

Stoich.:

AB2C3D4E19F20 (1)

Weight, g/mol:

552.236415

ΔHf, kcal/mol:

-137.47

Dipole, Da:

6.63

IP(EA), eV:

 -8.57(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;hydrochloride

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)NC2=CC3=NC(=CN=C3C=C2C)OC)F

DOS

IR

Vibrations