Geometry & MOs

Info

ID:	311723
PubChem CID:	126597469
Reduced:	ClO2N6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	488.164203
ΔH_f, kcal/mol:	31.36
Dipole, Da:	1.5
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CCNC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)Cl)C

DOS

IR

Vibrations