Geometry & MOs

Info

ID:	302065
PubChem CID:	124349151
Reduced:	ClFSN2O5H20C22 (1)
Stoich.:	ABCD2E5F20G22 (1)
Weight, g/mol:	466.108624
ΔH_f, kcal/mol:	-173.79
Dipole, Da:	2.46
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]acetyl]phenyl] benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F)OC)Cl

DOS

IR

Vibrations