Geometry & MOs

Info

ID:	150145
PubChem CID:	53789832
Reduced:	SO3H18C24 (1)
Stoich.:	AB3C18D24 (1)
Weight, g/mol:	345.251523
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	5.71
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]dodecanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)O)S(=O)C3=C(C=CC(=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations