Geometry & MOs

Info

ID:	177288
PubChem CID:	76160971
Reduced:	ClFN3O3C24H33 (1)
Stoich.:	ABC3D3E24F33 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	5.12
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-cyano-4-(hydroxymethyl)-1-methylsulfonylazetidin-3-yl]phenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(CN(CC1=CC=CC=C1Cl)C(C)CO)C(CN(C)C(=O)NC2=CC=C(C=C2)F)OC

DOS

IR

Vibrations