Geometry & MOs

Info

ID:	123620
PubChem CID:	50856588
Reduced:	BrN2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	418.144119
ΔH_f, kcal/mol:	95.43
Dipole, Da:	5.92
IP(EA), eV:	-8.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)C=NC3=CC=C(C=C3)Br

DOS

IR

Vibrations