Geometry & MOs

Info

ID:	63787
PubChem CID:	26759186
Reduced:	ClN2S2O5C19H21 (1)
Stoich.:	AB2C2D5E19F21 (1)
Weight, g/mol:	451.002354
ΔH_f, kcal/mol:	-177.83
Dipole, Da:	3.04
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations