Geometry & MOs

Info

ID:	425428
PubChem CID:	135126301
Reduced:	SF2O3N4C20H22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	351.149538
ΔH_f, kcal/mol:	-130.95
Dipole, Da:	8.62
IP(EA), eV:	-9.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluoropyridin-2-yl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OC)\F)F

DOS

IR

Vibrations