Geometry & MOs

Info

ID:	188751
PubChem CID:	77762144
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	490.157386
ΔH_f, kcal/mol:	-82.5
Dipole, Da:	3.57
IP(EA), eV:	-8.38(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1CCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations