Geometry & MOs

Info

ID:	281424
PubChem CID:	103913855
Reduced:	ClNO2S2C12H18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	6.59
IP(EA), eV:	-9.22(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC1NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations