Geometry & MOs

Info

ID:	176839
PubChem CID:	76104523
Reduced:	NPO9C51H98 (1)
Stoich.:	ABC9D51E98 (1)
Weight, g/mol:	278.136553
ΔH_f, kcal/mol:	-566.08
Dipole, Da:	3.06
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,5,6-tetrahydroxy-3-oxohexyl) hexanoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COC12C(C3(P1(=O)O3)C(C(O2)CO)O)NC(=O)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

DOS

IR

Vibrations