Geometry & MOs

Info

ID:	187814
PubChem CID:	77629186
Reduced:	BrClFN7H20C25 (1)
Stoich.:	ABCD7E20F25 (1)
Weight, g/mol:	537.17272
ΔH_f, kcal/mol:	126.17
Dipole, Da:	10.01
IP(EA), eV:	-8.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-[3-(trifluoromethyl)phenyl]phenyl]azetidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NNN2)CNC3=CC4=C(C(=CN=C4C(=C3)Br)C#N)NC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations