Geometry & MOs

Info

ID:	339594
PubChem CID:	127261584
Reduced:	BrNO4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	549.26863
ΔH_f, kcal/mol:	-189.05
Dipole, Da:	2.52
IP(EA), eV:	-10.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3,5-bis[5-carboxypentyl(formyl)amino]-N-formylanilino]hexanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(=O)[C@@H]1C(CC(=O)N1)Br

DOS

IR

Vibrations