Geometry & MOs

Info

ID:	124711
PubChem CID:	50893546
Reduced:	BrClNSF3O4H12C16 (1)
Stoich.:	ABCDE3F4G12H16 (1)
Weight, g/mol:	469.971783
ΔH_f, kcal/mol:	-273.2
Dipole, Da:	4.26
IP(EA), eV:	-9.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-N-(3-nitrophenyl)sulfonyl-5-(trifluoromethyl)anilino]propanoyl chloride

Drug info:

PubChemData

Smile

COC(=O)CN(C1=C(C=CC(=C1)C(F)(F)F)Cl)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations