Geometry & MOs

Info

ID:	124649
PubChem CID:	50890854
Reduced:	BrNSCl2O4H12C15 (1)
Stoich.:	ABCD2E4F12G15 (1)
Weight, g/mol:	468.87086
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	3.46
IP(EA), eV:	-9.56(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations