Geometry & MOs

Info

ID:	124632
PubChem CID:	50890415
Reduced:	BrSN2O6H13C15 (1)
Stoich.:	ABC2D6E13F15 (1)
Weight, g/mol:	334.98269
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	3.05
IP(EA), eV:	-9.98(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-N-ethylsulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C1=CC=CC=C1Br)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations