Geometry & MOs

Info

ID:	27715
PubChem CID:	823231
Reduced:	OCl2N2S2H8C9 (1)
Stoich.:	AB2C2D2E8F9 (1)
Weight, g/mol:	323.084081
ΔH_f, kcal/mol:	9.5
Dipole, Da:	2.7
IP(EA), eV:	-9.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-16-thia-2,3,4,5,7-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one

Drug info:

PubChemData

Smile

CCN1C(=O)SCC(=N1)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations