Geometry & MOs

Info

ID:	311793
PubChem CID:	126597713
Reduced:	SO4N6C20H22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	491.147265
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	6.0
IP(EA), eV:	-8.69(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations