Geometry & MOs

Info

ID:	230938
PubChem CID:	87572286
Reduced:	BrClN2O3C15H20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	553.470624
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	7.53
IP(EA), eV:	-9.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-ethylhexyl) 2-(dodecanoylamino)pentanedioate

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1(CC1)COC2=CC(=C(N=C2)Cl)Br)C(=O)O

DOS

IR

Vibrations