Geometry & MOs

Info

ID:	231792
PubChem CID:	87574671
Reduced:	OSN7C27H31 (1)
Stoich.:	ABC7D27E31 (1)
Weight, g/mol:	256.106791
ΔH_f, kcal/mol:	81.45
Dipole, Da:	7.81
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2H-1,5,2-dithiazine

Drug info:

PubChemData

Smile

C1CCN(C(C1)N2CCC(CC2)N3C=C(C=N3)C4=CC(=C(N=C4)N)C5=NC6=CC=CC=C6S5)CC=O

DOS

IR

Vibrations