Geometry & MOs

Info

ID:	68746
PubChem CID:	46509022
Reduced:	FNO6H22C23 (1)
Stoich.:	ABC6D22E23 (1)
Weight, g/mol:	427.06565
ΔH_f, kcal/mol:	-239.57
Dipole, Da:	7.78
IP(EA), eV:	-9.22(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluorophenyl)methyl 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OCC(=O)C1=C(C=CC(=C1)F)OC)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations