Geometry & MOs

Info

ID:	50821
PubChem CID:	12013410
Reduced:	N2Cl3S4H11C17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	357.972683
ΔH_f, kcal/mol:	107.62
Dipole, Da:	6.94
IP(EA), eV:	-8.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

C1CSC2=C(S1)SC(=C3C4=C(C5=C3C=CC=N5)N=CC=C4)S2.C(Cl)(Cl)Cl

DOS

IR

Vibrations