Geometry & MOs

Info

ID:	402728
PubChem CID:	135057039
Reduced:	SH5C7N7 (1)
Stoich.:	AB5C7D7 (1)
Weight, g/mol:	277.968066
ΔH_f, kcal/mol:	207.64
Dipole, Da:	1.79
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,10-dithia-3,4,5,13,14,15-hexazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),4,11(16),13-pentaene-6,12-dione

Drug info:

PubChemData

Smile

[C-]#[N+]/C(=N\NC1=NNN=N1)/C2=CC=CS2

DOS

IR

Vibrations