Geometry & MOs

Info

ID:	162165
PubChem CID:	57393813
Reduced:	BrSF3N3O4H17C23 (1)
Stoich.:	ABC3D3E4F17G23 (1)
Weight, g/mol:	492.242436
ΔH_f, kcal/mol:	-246.74
Dipole, Da:	9.63
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(C(=O)N1C3=CC=C(C=C3)OC(F)(F)F)SC=C2)CC4=CC(=CC=C4)NC(=O)CBr

DOS

IR

Vibrations