Geometry & MOs

Info

ID:	393250
PubChem CID:	135019883
Reduced:	ION2C27H27 (1)
Stoich.:	ABC2D27E27 (1)
Weight, g/mol:	600.12738
ΔH_f, kcal/mol:	74.89
Dipole, Da:	4.79
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-N-benzyl-5-[iodo(phenyl)methylidene]-4-(4-methoxyphenyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-imine

Drug info:

PubChemData

Smile

CCCC1/C(=C(/C2=CC=CC=C2)\I)/OC(=NCC3=CC=CC=C3)N1CC4=CC=CC=C4

DOS

IR

Vibrations