Geometry & MOs

Info

ID:	55340
PubChem CID:	17390904
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-107.33
Dipole, Da:	2.78
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC1C2=NC3=CC(=C(C=C3C(=O)O2)OC)OC

DOS

IR

Vibrations