Geometry & MOs

Info

ID:	387405
PubChem CID:	134985254
Reduced:	NSCl3O4C10H16 (1)
Stoich.:	ABC3D4E10F16 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-201.13
Dipole, Da:	4.53
IP(EA), eV:	-9.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-1-butyl-3-naphthalen-2-ylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCCCC1=O)NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations