Geometry & MOs

Info

ID:	427569
PubChem CID:	135160070
Reduced:	FSO3N4H23C29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	5.27
IP(EA), eV:	-8.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(4-aminophenyl)-1H-imidazol-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)C(=O)C5=CC=CC=N5)SC6=CC=CC(=C6)C(=O)O

DOS

IR

Vibrations