Geometry & MOs

Info

ID:	388640
PubChem CID:	134989716
Reduced:	INC4S4H6 (1)
Stoich.:	ABC4D4E6 (1)
Weight, g/mol:	279.93402
ΔH_f, kcal/mol:	69.76
Dipole, Da:	6.61
IP(EA), eV:	-8.09(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-N,N-dimethyl-8lambda4-thia-7-selena-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-4-amine

Drug info:

PubChemData

Smile

CSC1=C(S(=NS1)I)SC

DOS

IR

Vibrations