Geometry & MOs

Info

ID:	124654
PubChem CID:	50890965
Reduced:	BrSN4O5H13C14 (1)
Stoich.:	ABC4D5E13F14 (1)
Weight, g/mol:	450.90475
ΔH_f, kcal/mol:	-40.46
Dipole, Da:	5.33
IP(EA), eV:	-9.63(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-N-(3,4-dichlorophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CC(=O)NN)C2=CC(=CC=C2)Br

DOS

IR

Vibrations