Geometry & MOs

Info

ID:

441618

PubChem CID:

135237512

Reduced:

O3N7C33H37 (1)

Stoich.:

A3B7C33D37 (1)

Weight, g/mol:

574.209355

ΔHf, kcal/mol:

0.07

Dipole, Da:

5.26

IP(EA), eV:

 -8.87(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(2-cyanopyridin-4-yl)-5-[3-[4-(dimethylamino)but-2-enoylamino]phenyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC(C)N1C=C(C2=C1N=CC(=C2)C3=CC(=CN=C3)NC(=O)/C=C/CN(C)C)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations