Geometry & MOs

Info

ID:	12739
PubChem CID:	144795
Reduced:	SN2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	298.034689
ΔH_f, kcal/mol:	149.08
Dipole, Da:	0.15
IP(EA), eV:	-7.85(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-diphenyl-1lambda4,5-dithia-2,4,6,8-tetrazacycloocta-1,3,6,8-tetraene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NSN=C(N=S=N2)C3=CC=CC=C3

DOS

IR

Vibrations