Geometry & MOs

Info

ID:

311779

PubChem CID:

126597685

Reduced:

BrFO2N6H18C23 (1)

Stoich.:

ABC2D6E18F23 (1)

Weight, g/mol:

503.122113

ΔHf, kcal/mol:

21.19

Dipole, Da:

2.72

IP(EA), eV:

 -8.7(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[6-chloro-1-(cyanomethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)Br)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations