Geometry & MOs

Info

ID:	15356
PubChem CID:	439294
Reduced:	C3O3H5 (2)
Stoich.:	A3B3C5 (2)
Weight, g/mol:	178.047738
ΔH_f, kcal/mol:	-257.28
Dipole, Da:	2.57
IP(EA), eV:	-10.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O

DOS

IR

Vibrations