Geometry & MOs

Info

ID:	406411
PubChem CID:	135077521
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	339.1293
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	6.53
IP(EA), eV:	-9.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-enyl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]\2[C@@H]1CC/C2=N\OS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations