Geometry & MOs

Info

ID:	281766
PubChem CID:	103914335
Reduced:	NO2S2C12H25 (1)
Stoich.:	AB2C2D12E25 (1)
Weight, g/mol:	279.132671
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	4.92
IP(EA), eV:	-8.67(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)(CNC1CCCS(=O)(=O)C1)SC

DOS

IR

Vibrations