Geometry & MOs

Info

ID:	34286
PubChem CID:	7890623
Reduced:	FSN2O6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	396.079136
ΔH_f, kcal/mol:	-241.14
Dipole, Da:	5.17
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations