Geometry & MOs

Info

ID:	343086
PubChem CID:	127266259
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	3.2
IP(EA), eV:	-10.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NC(CC#C)CO

DOS

IR

Vibrations