Geometry & MOs

Info

ID:	138964
PubChem CID:	52449941
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	441.104622
ΔH_f, kcal/mol:	-193.83
Dipole, Da:	4.86
IP(EA), eV:	-9.87(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-4-phenylbutyl) 2-[(4-fluorophenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)OCCOC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations