Geometry & MOs

Info

ID:	14064
PubChem CID:	403294
Reduced:	OC6H6 (5)
Stoich.:	AB6C6 (5)
Weight, g/mol:	470.209324
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	4.84
IP(EA), eV:	-9.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trityloxymethyl)-3H-pyran-6-one

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@]2(CC=CC(=O)O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations