Geometry & MOs

Info

ID:	17489
PubChem CID:	501152
Reduced:	NSO3C25H37 (1)
Stoich.:	ABC3D25E37 (1)
Weight, g/mol:	431.249415
ΔH_f, kcal/mol:	-105.37
Dipole, Da:	5.75
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,5-dimethylphenyl)dodecylsulfonyl]-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(C1=C(C=CC(=C1)C)C)S(=O)(=O)C2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations