Geometry & MOs

Info

ID:	401751
PubChem CID:	135052424
Reduced:	NOSC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	498.131468
ΔH_f, kcal/mol:	22.47
Dipole, Da:	4.82
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R)-3,4-dibenzoyloxy-5-prop-2-ynoyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC=CC1=S)/NO

DOS

IR

Vibrations