Geometry & MOs

Info

ID:	50822
PubChem CID:	12013411
Reduced:	NS2H5C8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	359.988333
ΔH_f, kcal/mol:	129.8
Dipole, Da:	6.81
IP(EA), eV:	-8.22(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4,5-bis(methylsulfanyl)-1,3-dithiol-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

DOS

IR

Vibrations