Geometry & MOs

Info

ID:	27731
PubChem CID:	823314
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	311.098
ΔH_f, kcal/mol:	51.3
Dipole, Da:	5.17
IP(EA), eV:	-8.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylphenyl)-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

Drug info:

PubChemData

Smile

CC(=C)CN1C(=NNC1=S)C2=CC=CO2

DOS

IR

Vibrations