Geometry & MOs

Info

ID:	68780
PubChem CID:	46509075
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	365.109707
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	3.69
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations