Geometry & MOs

Info

ID:	278425
PubChem CID:	103835605
Reduced:	BrNCl2S2O3C11H14 (1)
Stoich.:	ABC2D2E3F11G14 (1)
Weight, g/mol:	340.112664
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	3.24
IP(EA), eV:	-8.41(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=C(C=C(C=C1Cl)Br)Cl)(CSC)O

DOS

IR

Vibrations