Geometry & MOs

Info

ID:	124705
PubChem CID:	50893375
Reduced:	BrClSN3O3C15H15 (1)
Stoich.:	ABCD3E3F15G15 (1)
Weight, g/mol:	301.098394
ΔH_f, kcal/mol:	-61.63
Dipole, Da:	5.78
IP(EA), eV:	-9.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxy-N-methylsulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN)C2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations