Geometry & MOs

Info

ID:	387165
PubChem CID:	134984259
Reduced:	NSCl3O6C13H14 (1)
Stoich.:	ABC3D6E13F14 (1)
Weight, g/mol:	275.134385
ΔH_f, kcal/mol:	-230.6
Dipole, Da:	3.44
IP(EA), eV:	-10.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (2S)-1-[(1S)-1-phenylethyl]-2-prop-2-enylaziridine-2-carbothioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations