Geometry & MOs

Info

ID:	132353
PubChem CID:	51347556
Reduced:	FNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	407.02808
ΔH_f, kcal/mol:	-132.42
Dipole, Da:	7.61
IP(EA), eV:	-8.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(5E)-3-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(hydroxyamino)methylidene]-4-methylpyrrol-2-ylidene]-2-fluorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)CC(=O)O

DOS

IR

Vibrations