Geometry & MOs

Info

ID:	393245
PubChem CID:	135019856
Reduced:	NO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	536.13246
ΔH_f, kcal/mol:	-187.76
Dipole, Da:	0.84
IP(EA), eV:	-9.3(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-N-benzyl-5-[iodo(phenyl)methylidene]-3-(2-phenylethyl)-4-propan-2-yl-1,3-oxazolidin-2-imine

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@H]2[C@H]3[C@@H]([C@H](N2)C=C)OC(O3)(C)C)C

DOS

IR

Vibrations