Geometry & MOs

Info

ID:	287548
PubChem CID:	104246860
Reduced:	ClNSC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	245.027727
ΔH_f, kcal/mol:	-9.21
Dipole, Da:	4.56
IP(EA), eV:	-8.55(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroethylsulfonyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

Drug info:

PubChemData

Smile

CC(CCCl)SC1=NC2=C(CCC2)C=C1

DOS

IR

Vibrations