Geometry & MOs

Info

ID:	311818
PubChem CID:	126597828
Reduced:	F2O3N7C24H27 (1)
Stoich.:	A2B3C7D24E27 (1)
Weight, g/mol:	536.165345
ΔH_f, kcal/mol:	-127.05
Dipole, Da:	2.25
IP(EA), eV:	-8.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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)CC5CCNC5

DOS

IR

Vibrations