Geometry & MOs

Info

ID:	127801
PubChem CID:	51016227
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-83.84
Dipole, Da:	8.46
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10R)-11,13-dimethyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one

Drug info:

PubChemData

Smile

C[C@@]12C=C[C@H](O1)C3C2C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=C5

DOS

IR

Vibrations