Geometry & MOs

Info

ID:	124641
PubChem CID:	50890800
Reduced:	BrSN3O3C14H14 (1)
Stoich.:	ABC3D3E14F14 (1)
Weight, g/mol:	468.87086
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	7.11
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations