Geometry & MOs

Info

ID:	45643
PubChem CID:	10515968
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-127.25
Dipole, Da:	5.1
IP(EA), eV:	-8.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-(hydroperoxymethyl)-7,7-dimethyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione

Drug info:

PubChemData

Smile

CC1=CN(S(=O)(=O)C2=C1C=CC=C2C(=O)OC)C

DOS

IR

Vibrations