Geometry & MOs

Info

ID:	427161
PubChem CID:	135155777
Reduced:	ISN3O3H18C22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	528.158467
ΔH_f, kcal/mol:	-18.53
Dipole, Da:	6.16
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-(azetidine-1-carbonyl)-4-(trifluoromethyl)phenyl]methyl]-5,5-bis(4-fluorophenyl)imidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C3=C2N=CC(=C3)C(=O)N)I)CC4=CC=CC=C4

DOS

IR

Vibrations