Geometry & MOs

Info

ID:	311809
PubChem CID:	126597739
Reduced:	ClO3N6H17C18 (1)
Stoich.:	AB3C6D17E18 (1)
Weight, g/mol:	555.153413
ΔH_f, kcal/mol:	-14.91
Dipole, Da:	1.93
IP(EA), eV:	-8.76(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-chloro-1-(pyridin-2-ylmethyl)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

CC(C)(CO)NC(=O)OC1=CNC2=NC=C(N=C12)N3C4=C(C=CC(=C4)Cl)C=N3

DOS

IR

Vibrations