Geometry & MOs

Info

ID:	51719
PubChem CID:	12014445
Reduced:	CsSSeH7C8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	802.398187
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	6.11
IP(EA), eV:	-8.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,13-bis(2-tert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;3-propylphenol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=S)[Se-].[Cs+]

DOS

IR

Vibrations