Geometry & MOs

Info

ID:	226216
PubChem CID:	87350164
Reduced:	BrO2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	609.533224
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	3.86
IP(EA), eV:	-10.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(dodecanoylamino)-2-icosan-9-ylpentanedioic acid

Drug info:

PubChemData

Smile

CC(CCCCCCCCCCC=C)(C(=O)O)Br

DOS

IR

Vibrations