Geometry & MOs

Info

ID:	225292
PubChem CID:	85753335
Reduced:	NPSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	484.421323
ΔH_f, kcal/mol:	-238.74
Dipole, Da:	2.77
IP(EA), eV:	-9.6(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,16-dioxa-1,7,10,13,19,22,27,32-octazatricyclo[17.5.5.57,13]tetratriacontane

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=NC2=C(S1)C=C(C=C2)C(=O)O)OCC

DOS

IR

Vibrations