Geometry & MOs

Info

ID:	426878
PubChem CID:	135154308
Reduced:	ClO2N6H23C28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	558.16341
ΔH_f, kcal/mol:	61.7
Dipole, Da:	2.82
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(2-chlorophenyl)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C(=O)N(C(=N2)N)CC3=CC(=C(C=C3)Cl)C(=O)NCC4=NC=CN=C4)C5=CC=CC=C5

DOS

IR

Vibrations