Geometry & MOs

Info

ID:	389666
PubChem CID:	134994368
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	243.165686
ΔH_f, kcal/mol:	-8.23
Dipole, Da:	3.38
IP(EA), eV:	-9.39(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-[(R)-tert-butylsulfinyl]-2-ethenyl-3-pentylaziridine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](N1S(=O)(=O)C)CC2=CC=CC=C2)C#C

DOS

IR

Vibrations