Geometry & MOs

Info

ID:	282198
PubChem CID:	103918474
Reduced:	ClSN3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	308.140593
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	4.58
IP(EA), eV:	-9.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NC(=C(N2C=C1)S(=O)(=O)NCCCCCCO)Cl

DOS

IR

Vibrations