Geometry & MOs

Info

ID:	406199
PubChem CID:	135076861
Reduced:	IS2O9H15C22 (1)
Stoich.:	AB2C9D15E22 (1)
Weight, g/mol:	462.06919
ΔH_f, kcal/mol:	-232.53
Dipole, Da:	3.19
IP(EA), eV:	-8.87(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-4-methylphenyl) (1R)-2-methyl-1-(phenylmethoxymethyl)cyclopent-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2)OS(=O)(=O)C3=CC=CC=C3)I)OC4C=CC(=O)O4

DOS

IR

Vibrations