Geometry & MOs

Info

ID:

322509

PubChem CID:

126670309

Reduced:

FO2N8C26H29 (1)

Stoich.:

AB2C8D26E29 (1)

Weight, g/mol:

556.327423

ΔHf, kcal/mol:

22.91

Dipole, Da:

10.56

IP(EA), eV:

 -8.32(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(2-oxo-3-propan-2-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-4-propan-2-ylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C=CC4=C3C=CC(=N4)F)OC

DOS

IR

Vibrations