Geometry & MOs

Info

ID:	390841
PubChem CID:	135001206
Reduced:	NSBr2O3H9C15 (1)
Stoich.:	ABC2D3E9F15 (1)
Weight, g/mol:	478.160869
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	3.96
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,5S)-5-benzyl-2,2,3-trimethyl-1-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-ium-4-one;hexafluorophosphate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=O)O1)C2=C(SC(=N2)C3=CC=CC=C3)Br)O)Br

DOS

IR

Vibrations