Geometry & MOs

Info

ID:	396194
PubChem CID:	135027694
Reduced:	N2O5C25H26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	592.97126
ΔH_f, kcal/mol:	-62.74
Dipole, Da:	4.38
IP(EA), eV:	-9.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzyl-N-(2-ethyl-4,6-diiodophenyl)-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](C(C[N+](=O)[O-])C1=CC=CO1)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations