Geometry & MOs

Info

ID:	188752
PubChem CID:	77762333
Reduced:	FSN2O6C24H27 (1)
Stoich.:	ABC2D6E24F27 (1)
Weight, g/mol:	490.157386
ΔH_f, kcal/mol:	-235.18
Dipole, Da:	4.91
IP(EA), eV:	-8.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-hydroxy-5-[3-hydroxy-2-[3-(2-hydroxyphenoxy)propylamino]propyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(CNC(CC1=CC(=C(C=C1)O)NS(=O)(=O)C2=CC=C(C=C2)F)CO)OC3=CC=CC=C3O

DOS

IR

Vibrations