Geometry & MOs

Info

ID:	341877
PubChem CID:	127264570
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	278.130028
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	1.94
IP(EA), eV:	-8.7(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(methylsulfonylmethyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCNC(C1)CSC

DOS

IR

Vibrations