Geometry & MOs

Info

ID:	20213
PubChem CID:	582704
Reduced:	INSO6C14H16 (1)
Stoich.:	ABCD6E14F16 (1)
Weight, g/mol:	452.97431
ΔH_f, kcal/mol:	-177.64
Dipole, Da:	2.5
IP(EA), eV:	-9.89(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 1-(4-iodophenyl)sulfonylaziridine-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CN1S(=O)(=O)C2=CC=C(C=C2)I)C(=O)OCC

DOS

IR

Vibrations