Geometry & MOs

Info

ID:	10648
PubChem CID:	106043
Reduced:	NO3Cl4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	471.071554
ΔH_f, kcal/mol:	-174.27
Dipole, Da:	5.4
IP(EA), eV:	-9.61(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrachloro-6-(dihexylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O

DOS

IR

Vibrations