Geometry & MOs

Info

ID:	214755
PubChem CID:	85083591
Reduced:	N2F6O7H24C27 (1)
Stoich.:	A2B6C7D24E27 (1)
Weight, g/mol:	602.24756
ΔH_f, kcal/mol:	-493.44
Dipole, Da:	5.14
IP(EA), eV:	-9.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,20-bis(phenylmethoxymethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-8,11,18,21-tetrone

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)(C(=O)OCC(COC2=NC=CC=N2)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC)C(F)(F)F

DOS

IR

Vibrations