Geometry & MOs

Info

ID:	409090
PubChem CID:	135081865
Reduced:	N2S2O3C6H6 (1)
Stoich.:	A2B2C3D6E6 (1)
Weight, g/mol:	171.054495
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	1.91
IP(EA), eV:	-9.49(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,8,10,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene

Drug info:

PubChemData

Smile

CC1=NOS2=C1C(=NS2)C(=O)OC

DOS

IR

Vibrations