Geometry & MOs

Info

ID:	50714
PubChem CID:	12013295
Reduced:	S2N3O7H13C20 (1)
Stoich.:	A2B3C7D13E20 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	5.16
Dipole, Da:	3.4
IP(EA), eV:	-8.6(-2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,7S)-3',3',7-trimethylspiro[bicyclo[3.3.1]nonane-9,5'-oxolane]-2,2'-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations