Geometry & MOs

Info

ID:

442921

PubChem CID:

135256891

Reduced:

SO2N10H20C26 (1)

Stoich.:

AB2C10D20E26 (1)

Weight, g/mol:

548.264822

ΔHf, kcal/mol:

144.84

Dipole, Da:

4.62

IP(EA), eV:

 -8.97(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2E,4Z)-5-(6-methoxypyridin-3-yl)-2-methyl-5-(methylideneamino)penta-2,4-dienyl]-4,6-dimethyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=C(C=C4)OC)NC5=NSC(=N5)C#N

DOS

IR

Vibrations