Geometry & MOs

Info

ID:	20211
PubChem CID:	582702
Reduced:	ClNSO6C14H16 (1)
Stoich.:	ABCD6E14F16 (1)
Weight, g/mol:	361.038686
ΔH_f, kcal/mol:	-205.22
Dipole, Da:	3.92
IP(EA), eV:	-10.23(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations