Geometry & MOs

Info

ID:

322557

PubChem CID:

126670501

Reduced:

O2N4C14H17 (2)

Stoich.:

A2B4C14D17 (2)

Weight, g/mol:

548.265965

ΔHf, kcal/mol:

-40.72

Dipole, Da:

4.61

IP(EA), eV:

 -8.0(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethyl-5-fluoro-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)CO)N(C1=O)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations