Geometry & MOs

Info

ID:	32522
PubChem CID:	7840836
Reduced:	ClNS2O5C15H18 (1)
Stoich.:	ABC2D5E15F18 (1)
Weight, g/mol:	411.054336
ΔH_f, kcal/mol:	-207.56
Dipole, Da:	5.32
IP(EA), eV:	-9.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-phenoxypropanoate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations