Geometry & MOs

Info

ID:	392775
PubChem CID:	135017909
Reduced:	O5C28H28 (1)
Stoich.:	A5B28C28 (1)
Weight, g/mol:	444.193674
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	1.12
IP(EA), eV:	-9.51(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3S,4R)-5-methylidene-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenyl-1,3-dioxolane

Drug info:

PubChemData

Smile

C=C1[C@@H]([C@@H]2[C@H]([C@H](O1)COCC3=CC=CC=C3)O[C@@H](O2)C4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations