Geometry & MOs

Info

ID:	161586
PubChem CID:	57392066
Reduced:	SO2N6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	441.151842
ΔH_f, kcal/mol:	54.69
Dipole, Da:	10.59
IP(EA), eV:	-8.56(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)C3=C4C=CC(=NC4=NN3)C5=CC=C(C=C5)S(=O)(=O)N

DOS

IR

Vibrations