Geometry & MOs

Info

ID:	224758
PubChem CID:	85349262
Reduced:	OS2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	259.084458
ΔH_f, kcal/mol:	-4.77
Dipole, Da:	4.17
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-5-oxa-9-azatetracyclo[7.7.0.02,6.011,16]hexadeca-11,13,15-triene-4,10-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC2SCCCS2

DOS

IR

Vibrations