Geometry & MOs

Info

ID:	388909
PubChem CID:	134990573
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	592.91962
ΔH_f, kcal/mol:	-194.78
Dipole, Da:	2.69
IP(EA), eV:	-8.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)(C(=O)OCC)NC=O

DOS

IR

Vibrations