Geometry & MOs

Info

ID:	312471
PubChem CID:	126605528
Reduced:	ClFOSN7C21H23 (1)
Stoich.:	ABCDE7F21G23 (1)
Weight, g/mol:	368.139702
ΔH_f, kcal/mol:	20.62
Dipole, Da:	4.9
IP(EA), eV:	-8.58(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CNC1CCC(C1)NC(=O)C2=CN(C3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)Cl)NC)SF

DOS

IR

Vibrations