Geometry & MOs

Info

ID:	28558
PubChem CID:	828361
Reduced:	NSO5H11C17 (1)
Stoich.:	ABC5D11E17 (1)
Weight, g/mol:	346.96156
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	3.5
IP(EA), eV:	-8.84(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4-bromophenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations