Geometry & MOs

Info

ID:	440575
PubChem CID:	135230572
Reduced:	O5C8H15 (2)
Stoich.:	A5B8C15 (2)
Weight, g/mol:	379.097542
ΔH_f, kcal/mol:	-442.7
Dipole, Da:	4.22
IP(EA), eV:	-9.98(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,11,15,19,22-hexaoxa-2,6,10,14,18-pentazabicyclo[19.1.0]docosane-5,9,13,17-tetrone

Drug info:

PubChemData

Smile

C1COCCOCCO[C@@H]2[C@@H]([C@H]([C@@H](C(O2)COCCOCCO1)O)O)O

DOS

IR

Vibrations