Geometry & MOs

Info

ID:	81675
PubChem CID:	49854997
Reduced:	NaS2N9O10C22H30 (1)
Stoich.:	AB2C9D10E22F30 (1)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	-388.09
Dipole, Da:	6.13
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxacyclooctadecane-5,18-dione

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@]2([C@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)[O-])OC.O.[Na+]

DOS

IR

Vibrations