Geometry & MOs

Info

ID:	343672
PubChem CID:	127266848
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	6.41
IP(EA), eV:	-9.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NCC=C=C

DOS

IR

Vibrations