Geometry & MOs

Info

ID:	124702
PubChem CID:	50893104
Reduced:	FSCl3N3O3H11C14 (1)
Stoich.:	ABC3D3E3F11G14 (1)
Weight, g/mol:	444.932082
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	5.34
IP(EA), eV:	-9.58(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N(CC(=O)NN)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)F

DOS

IR

Vibrations