Geometry & MOs

Info

ID:	224116
PubChem CID:	85338355
Reduced:	Cl2N3O5C33H45 (1)
Stoich.:	A2B3C5D33E45 (1)
Weight, g/mol:	635.90613
ΔH_f, kcal/mol:	-243.13
Dipole, Da:	3.84
IP(EA), eV:	-8.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-4-[5-(3,5-diiodophenyl)pent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N)OCC(C)C.Cl.Cl

DOS

IR

Vibrations