Geometry & MOs

Info

ID:	85613
PubChem CID:	49877678
Reduced:	FN2O5H19C25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	468.03208
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	11.38
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)F)/O

DOS

IR

Vibrations