Geometry & MOs

Info

ID:	216282
PubChem CID:	85085984
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-19.47
Dipole, Da:	5.24
IP(EA), eV:	-8.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-6-hydroxy-8-azatricyclo[6.4.1.04,13]tridec-1(13)-en-7-one

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC=C2C(=O)SC(=N2)OC

DOS

IR

Vibrations