Geometry & MOs

Info

ID:	390540
PubChem CID:	134999637
Reduced:	OSF3N3H8C12 (1)
Stoich.:	ABC3D3E8F12 (1)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	8.92
IP(EA), eV:	-9.55(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R)-2-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]hept-6-ene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=C(C(=O)NS2)C#N)C(F)(F)F

DOS

IR

Vibrations