Geometry & MOs

Info

ID:	213842
PubChem CID:	81065204
Reduced:	BrClNSO3C13H19 (1)
Stoich.:	ABCDE3F13G19 (1)
Weight, g/mol:	363.992
ΔH_f, kcal/mol:	-121.39
Dipole, Da:	3.75
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-iodo-4-nitroanilino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=C(C=C(C=C1)CCl)Br

DOS

IR

Vibrations