Geometry & MOs

Info

ID:	421793
PubChem CID:	135116624
Reduced:	SO4N6C15H20 (1)
Stoich.:	AB4C6D15E20 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	9.65
IP(EA), eV:	-9.87(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methylsulfamoyl)phenyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations