Geometry & MOs

Info

ID:	195826
PubChem CID:	78736335
Reduced:	SN2O6H12C15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	333.174908
ΔH_f, kcal/mol:	-109.42
Dipole, Da:	5.58
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2'-amino-6',6'-dibutylspiro[1,3-oxathiolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)SC(=CC2=CC(=CC=C2)OCC(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations