Geometry & MOs

Info

ID:	221441
PubChem CID:	85273704
Reduced:	NH8C11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	308.007805
ΔH_f, kcal/mol:	110.94
Dipole, Da:	3.57
IP(EA), eV:	-8.56(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-dithia-11,14-diazapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1(20),2(9),3(7),5,11,14,16,18-octaen-10-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C=NC3=C4C2=CC=CC4=NC5=CC=CC=C53

DOS

IR

Vibrations