Geometry & MOs

Info

ID:	314215
PubChem CID:	126620938
Reduced:	ClNOSC4H8 (1)
Stoich.:	ABCDE4F8 (1)
Weight, g/mol:	180.996427
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	3.24
IP(EA), eV:	-8.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-5-chloro-2lambda6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1Cl

DOS

IR

Vibrations