Geometry & MOs

Info

ID:	163996
PubChem CID:	74381307
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	494.024819
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	6.82
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propyl] 2-(2-aminoethoxy)acetate;hydrochloride

Drug info:

PubChemData

Smile

C1CCC2C(C1)C=CC(=O)C2=NNC3=C(C=CC(=C3)S(=O)(=O)O)O

DOS

IR

Vibrations