Geometry & MOs

Info

ID:	312487
PubChem CID:	126605794
Reduced:	NOSF3H6C8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	483.165286
ΔH_f, kcal/mol:	-149.4
Dipole, Da:	2.84
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[[(1R)-1-(1-cyanocyclopentyl)ethyl]carbamoyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)/C=N/S

DOS

IR

Vibrations