Geometry & MOs

Info

ID:	166691
PubChem CID:	74723230
Reduced:	ClO4N5C13H13 (1)
Stoich.:	AB4C5D13E13 (1)
Weight, g/mol:	446.112779
ΔH_f, kcal/mol:	-9.08
Dipole, Da:	3.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772405
Charge, e:	1

Chem-info

IUPAC name:

2-fluoro-N-[3-(furan-2-ylmethyl)-4-oxo-2-phenyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=NC3NNNN3)[O-]

DOS

IR

Vibrations