Geometry & MOs

Info

ID:	193297
PubChem CID:	78373201
Reduced:	OSF3N3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	557.252586
ΔH_f, kcal/mol:	-75.35
Dipole, Da:	4.65
IP(EA), eV:	-9.36(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-hydroxy-3-methoxyphenyl)-1-(3-imidazolidin-1-ium-1-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-[4-[(2-methylphenyl)methoxy]phenyl]methanolate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)C(=CC3=CC=C(C=C3)C(F)(F)F)C#N)C

DOS

IR

Vibrations