Geometry & MOs

Info

ID:	395636
PubChem CID:	135026065
Reduced:	O5C8H11 (2)
Stoich.:	A5B8C11 (2)
Weight, g/mol:	430.178024
ΔH_f, kcal/mol:	-473.37
Dipole, Da:	4.95
IP(EA), eV:	-10.8(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-2-hydroxy-3,4,5-tris(phenylmethoxy)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CC([C@H](C([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations