Geometry & MOs

Info

ID:

322556

PubChem CID:

126670500

Reduced:

O4N9C28H33 (1)

Stoich.:

A4B9C28D33 (1)

Weight, g/mol:

546.270302

ΔHf, kcal/mol:

-35.89

Dipole, Da:

8.45

IP(EA), eV:

 -8.12(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)N)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