Geometry & MOs

Info

ID:	213953
PubChem CID:	81065586
Reduced:	N2Cl3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	485.86123
ΔH_f, kcal/mol:	-148.58
Dipole, Da:	3.25
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,4,6-tribromophenyl)carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations