Geometry & MOs

Info

ID:	166679
PubChem CID:	74723218
Reduced:	ClO4N5C20H27 (1)
Stoich.:	AB4C5D20E27 (1)
Weight, g/mol:	456.133514
ΔH_f, kcal/mol:	-147.15
Dipole, Da:	9.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753630
Charge, e:	1

Chem-info

IUPAC name:

N-[3-benzyl-4-oxo-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)C[NH+]2CCNC(=O)C2CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations