Geometry & MOs

Info

ID:	68786
PubChem CID:	46509085
Reduced:	FNO6C22H22 (1)
Stoich.:	ABC6D22E22 (1)
Weight, g/mol:	365.109707
ΔH_f, kcal/mol:	-242.39
Dipole, Da:	5.24
IP(EA), eV:	-8.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)methyl 4-(butan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

DOS

IR

Vibrations