Geometry & MOs

Info

ID:	402586
PubChem CID:	135056482
Reduced:	O6C7H14 (1)
Stoich.:	A6B7C14 (1)
Weight, g/mol:	148.073559
ΔH_f, kcal/mol:	-282.9
Dipole, Da:	2.49
IP(EA), eV:	-10.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3,4,5-trihydroxyhexanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations