Geometry & MOs

Info

ID:	312496
PubChem CID:	126605900
Reduced:	BrFSO2N5H9C12 (1)
Stoich.:	ABCD2E5F9G12 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	1.98
IP(EA), eV:	-9.86(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-methoxy-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC=CO1)NC(=O)C2=CN(C3=NC=C(N=C23)Br)SF

DOS

IR

Vibrations