Geometry & MOs

Info

ID:	219911
PubChem CID:	85165034
Reduced:	ClO6C35H63 (1)
Stoich.:	AB6C35D63 (1)
Weight, g/mol:	614.18792
ΔH_f, kcal/mol:	-395.18
Dipole, Da:	5.44
IP(EA), eV:	-9.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-bromo-2-methoxypropan-2-yl)oxy-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(C(CCC(C1CCC(O1)CCCCCC(CC2=CC(OC2=O)C)Cl)O)O)O

DOS

IR

Vibrations