Geometry & MOs

Info

ID:	343676
PubChem CID:	127266852
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	323.130363
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	7.1
IP(EA), eV:	-9.47(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)propyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NCC(CC2=CN(N=C2)C)CO

DOS

IR

Vibrations