Geometry & MOs

Info

ID:	409087
PubChem CID:	135081862
Reduced:	NOPC6H6 (1)
Stoich.:	ABCD6E6 (1)
Weight, g/mol:	145.960855
ΔH_f, kcal/mol:	-26.74
Dipole, Da:	1.18
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxa-1lambda4,8-dithia-3,7-diazabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[NH+]=PO2

DOS

IR

Vibrations