Geometry & MOs

Info

ID:	63341
PubChem CID:	26750695
Reduced:	NF2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	466.156243
ΔH_f, kcal/mol:	-159.15
Dipole, Da:	4.0
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(4-phenylphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations