Geometry & MOs

Info

ID:	35718
PubChem CID:	7980239
Reduced:	ClSN2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	410.99675
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	5.42
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-iodoanilino)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC(=CC=C1)Cl)C2=NC(=CS2)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations