Geometry & MOs

Info

ID:	222405
PubChem CID:	85300606
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	319.124215
ΔH_f, kcal/mol:	-153.58
Dipole, Da:	3.7
IP(EA), eV:	-9.4(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methanone

Drug info:

PubChemData

Smile

COC1C(C(=O)C2C(O1)COC(O2)C3=CC=CC=C3)NCC=C

DOS

IR

Vibrations