Geometry & MOs

Info

ID:	34285
PubChem CID:	7890622
Reduced:	FNO4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	396.079136
ΔH_f, kcal/mol:	-146.27
Dipole, Da:	4.94
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations