Geometry & MOs

Info

ID:	387500
PubChem CID:	134985595
Reduced:	SN2Cl3O6C11H11 (1)
Stoich.:	AB2C3D6E11F11 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-156.32
Dipole, Da:	7.8
IP(EA), eV:	-10.66(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-1-butyl-3-(4-nitrophenyl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations