Geometry & MOs

Info

ID:	188753
PubChem CID:	77762334
Reduced:	FSN2O6C24H27 (1)
Stoich.:	ABC2D6E24F27 (1)
Weight, g/mol:	490.157386
ΔH_f, kcal/mol:	-228.81
Dipole, Da:	3.21
IP(EA), eV:	-8.72(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-hydroxy-5-[3-hydroxy-2-[(2-hydroxy-1-phenoxypropyl)amino]propyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)O)OCCCNC(CC2=CC(=C(C=C2)O)NS(=O)(=O)C3=CC=C(C=C3)F)CO

DOS

IR

Vibrations