Geometry & MOs

Info

ID:	398589
PubChem CID:	135034100
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	333.139865
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	3.76
IP(EA), eV:	-9.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2,7-dimethyl-1-prop-2-enyl-3-oxabicyclo[3.1.1]heptan-6-ylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC2CC2(C1=O)C3=CC=CC=C3

DOS

IR

Vibrations