Geometry & MOs

Info

ID:	389623
PubChem CID:	134994165
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	3.74
IP(EA), eV:	-9.44(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-2-cyano-3-ethylaziridine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)C(=C)[C@@H](C1=CC=CC=C1)NS(=O)(=O)C

DOS

IR

Vibrations