Geometry & MOs

Info

ID:	208893
PubChem CID:	80600506
Reduced:	N2O2S2C13H22 (1)
Stoich.:	A2B2C2D13E22 (1)
Weight, g/mol:	322.1021
ΔH_f, kcal/mol:	-99.79
Dipole, Da:	2.98
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(thian-2-ylmethylsulfamoyl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCSC(C1)CNC(=O)C2(CCOCC2)C(=S)N

DOS

IR

Vibrations