Geometry & MOs

Info

ID:	388623
PubChem CID:	134989684
Reduced:	ClN2S3C6H11 (1)
Stoich.:	AB2C3D6E11 (1)
Weight, g/mol:	234.93509
ΔH_f, kcal/mol:	-2.03
Dipole, Da:	7.66
IP(EA), eV:	-8.71(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4-methylsulfanyl-7,8lambda4-dithia-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene

Drug info:

PubChemData

Smile

CCCCSC1=S(SC(=N1)N)Cl

DOS

IR

Vibrations