Geometry & MOs

Info

ID:	133085
PubChem CID:	51474861
Reduced:	SF3O3N4C21H21 (1)
Stoich.:	AB3C3D4E21F21 (1)
Weight, g/mol:	453.124609
ΔH_f, kcal/mol:	-196.16
Dipole, Da:	10.87
IP(EA), eV:	-9.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3OC

DOS

IR

Vibrations