Geometry & MOs

Info

ID:	312520
PubChem CID:	126606218
Reduced:	N2F3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	458.190023
ΔH_f, kcal/mol:	-132.44
Dipole, Da:	4.14
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-fluoro-2-(3-methylsulfinylpropylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(=N)C1=C(C=CC(=C1)C(F)(F)F)N

DOS

IR

Vibrations