Geometry & MOs

Info

ID:	311821
PubChem CID:	126597893
Reduced:	ClO2N8H21C22 (1)
Stoich.:	AB2C8D21E22 (1)
Weight, g/mol:	430.150186
ΔH_f, kcal/mol:	51.12
Dipole, Da:	3.45
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-imidazo[1,2-a]pyridin-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)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)Cl)C(C)C5=NC=CN5

DOS

IR

Vibrations