Geometry & MOs

Info

ID:	124681
PubChem CID:	50892257
Reduced:	NSCl3O3H8C9 (1)
Stoich.:	ABC3D3E8F9 (1)
Weight, g/mol:	450.90475
ΔH_f, kcal/mol:	-120.53
Dipole, Da:	3.29
IP(EA), eV:	-9.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)Cl)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations