Geometry & MOs

Info

ID:	311819
PubChem CID:	126597834
Reduced:	SF2O5N6C23H26 (1)
Stoich.:	AB2C5D6E23F26 (1)
Weight, g/mol:	426.120716
ΔH_f, kcal/mol:	-215.4
Dipole, Da:	5.5
IP(EA), eV:	-8.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(3R)-oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=C(C=C4)OC(F)F)CCCS(=O)(=O)C

DOS

IR

Vibrations