Geometry & MOs

Info

ID:	195827
PubChem CID:	78736775
Reduced:	OSN4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	310.088832
ΔH_f, kcal/mol:	43.58
Dipole, Da:	10.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755484
Charge, e:	0

Chem-info

IUPAC name:

2'-amino-6'-methyl-6'-phenylspiro[1,3-oxathiolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile

Drug info:

PubChemData

Smile

CCCCC1(C2(C1(C3([NH+]=C2N)OCCS3)C#N)C#N)CCCC

DOS

IR

Vibrations