Geometry & MOs

Info

ID:	63834
PubChem CID:	26759278
Reduced:	ClNF3O3H17C19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	492.073355
ΔH_f, kcal/mol:	-266.48
Dipole, Da:	6.34
IP(EA), eV:	-9.2(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@@H](C)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations