Geometry & MOs

Info

ID:	15379
PubChem CID:	440130
Reduced:	O5C6H10 (1)
Stoich.:	A5B6C10 (1)
Weight, g/mol:	162.052823
ΔH_f, kcal/mol:	-216.94
Dipole, Da:	5.45
IP(EA), eV:	-10.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-1,1,4,5-tetrahydroxyhex-1-en-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations