Geometry & MOs

Info

ID:	394486
PubChem CID:	135023095
Reduced:	CH2 (23)
Stoich.:	AB2 (23)
Weight, g/mol:	584.150489
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	0.19
IP(EA), eV:	-9.9(3.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1CCCCCC(C(C(C(C(C(C(C1C)C)C)C)C)C)C)C

DOS

IR

Vibrations