Geometry & MOs

Info

ID:	388713
PubChem CID:	134989984
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	262.023455
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	1.52
IP(EA), eV:	-8.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-3-oxa-4lambda4,5-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene

Drug info:

PubChemData

Smile

C1=CC2C(C=C1)[N+](=C(N2O)CCC(=O)N)[O-]

DOS

IR

Vibrations