Geometry & MOs

Info

ID:	46069
PubChem CID:	10521100
Reduced:	O7C17H24 (1)
Stoich.:	A7B17C24 (1)
Weight, g/mol:	340.131074
ΔH_f, kcal/mol:	-291.92
Dipole, Da:	2.22
IP(EA), eV:	-8.85(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)OCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations