Geometry & MOs

Info

ID:	63835
PubChem CID:	26759281
Reduced:	ClSN2F3O5C20H20 (1)
Stoich.:	ABC2D3E5F20G20 (1)
Weight, g/mol:	403.059834
ΔH_f, kcal/mol:	-332.42
Dipole, Da:	5.99
IP(EA), eV:	-9.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations