Geometry & MOs

Info

ID:	393251
PubChem CID:	135019884
Reduced:	IN2O2H29C32 (1)
Stoich.:	AB2C2D29E32 (1)
Weight, g/mol:	611.10697
ΔH_f, kcal/mol:	66.72
Dipole, Da:	5.42
IP(EA), eV:	-8.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5E)-3-benzyl-2-benzylimino-5-[iodo-(4-methoxyphenyl)methylidene]-1,3-oxazolidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(/C(=C(/C3=CC=CC=C3)\I)/OC2=NCC4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations