Geometry & MOs

Info

ID:	281466
PubChem CID:	103913914
Reduced:	NS2O3C9H21 (1)
Stoich.:	AB2C3D9E21 (1)
Weight, g/mol:	281.111936
ΔH_f, kcal/mol:	-151.84
Dipole, Da:	4.24
IP(EA), eV:	-8.77(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-methylsulfonylcyclopentyl)amino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NCCSCCCO

DOS

IR

Vibrations