Geometry & MOs

Info

ID:	134545
PubChem CID:	51712407
Reduced:	FNCl2O4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	454.096535
ΔH_f, kcal/mol:	-189.0
Dipole, Da:	2.29
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations