Geometry & MOs

Info

ID:	164409
PubChem CID:	74396584
Reduced:	OSN4H20C30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	362.120132
ΔH_f, kcal/mol:	176.85
Dipole, Da:	2.68
IP(EA), eV:	-8.45(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diphenyl-8-thia-3,4,10,12-tetrazatricyclo[7.4.0.02,7]trideca-2(7),4-dien-13-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=C(SC3=NN=C2C4=CC=CC=C4)C(=O)C5=CC=CC=C5)NC=C6C=CC=N6

DOS

IR

Vibrations