Geometry & MOs

Info

ID:	25037
PubChem CID:	617486
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	10.73
Dipole, Da:	3.25
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-phenylspiro[1,3-oxathiolane-5,9'-3,6-diazatricyclo[4.3.1.13,8]undecane]-2-imine

Drug info:

PubChemData

Smile

C1CN2CC3CN1CC(C2)(C34CSC(=N)O4)C5=CC=CC=C5

DOS

IR

Vibrations