Geometry & MOs

Info

ID:	435612
PubChem CID:	135191949
Reduced:	O3C11H11 (2)
Stoich.:	A3B11C11 (2)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-215.78
Dipole, Da:	5.09
IP(EA), eV:	-9.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-benzyl 1-O-methyl (2R,4R)-4-hydroxycyclopentane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C[C@@H](C[C@H]1C(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations