Geometry & MOs

Info

ID:	11694
PubChem CID:	119270
Reduced:	ClO5C6H11 (1)
Stoich.:	AB5C6D11 (1)
Weight, g/mol:	198.029501
ΔH_f, kcal/mol:	-230.89
Dipole, Da:	0.99
IP(EA), eV:	-10.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5R)-6-chloro-2,3,4,5-tetrahydroxyhexanal

Drug info:

PubChemData

Smile

C([C@@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O)Cl

DOS

IR

Vibrations