Geometry & MOs

Info

ID:

441637

PubChem CID:

135238164

Reduced:

PN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

495.201888

ΔHf, kcal/mol:

-147.14

Dipole, Da:

7.0

IP(EA), eV:

 -8.58(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(2-cyanopyridin-4-yl)-5-[5-[[(E)-4-(dimethylamino)but-2-enoyl]amino]pyridin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOP(=O)(O)OC(C)N1C=C(C2=C1N=CC(=C2)C3=CC(=CC=C3)N(C)C(=O)C=CCN(C)C)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations