Geometry & MOs

Info

ID:

312481

PubChem CID:

126605674

Reduced:

ClO2N8C26H29 (1)

Stoich.:

AB2C8D26E29 (1)

Weight, g/mol:

500.130984

ΔHf, kcal/mol:

33.24

Dipole, Da:

8.24

IP(EA), eV:

 -8.8(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-chloro-2-(methylamino)benzenecarboximidoyl]-7-[[(2R)-1-(3-cyanoazetidin-1-yl)propan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)N1CC(C1)C#N)NC(=O)C2=CNC3=NC=C(N=C23)C(=NC)C4=C(C=C(C=C4)Cl)NC

DOS

IR

Vibrations