Geometry & MOs

Info

ID:	341876
PubChem CID:	127264569
Reduced:	SN2O4C11H22 (1)
Stoich.:	AB2C4D11E22 (1)
Weight, g/mol:	246.140199
ΔH_f, kcal/mol:	-199.33
Dipole, Da:	4.46
IP(EA), eV:	-9.25(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCNCC1CS(=O)(=O)C

DOS

IR

Vibrations