Geometry & MOs

Info

ID:	251430
PubChem CID:	103103890
Reduced:	BrSN3O3C9H12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	387.90508
ΔH_f, kcal/mol:	-89.84
Dipole, Da:	4.11
IP(EA), eV:	-9.9(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=CC(=CN=C1)Br

DOS

IR

Vibrations