Geometry & MOs

Info

ID:	387232
PubChem CID:	134984511
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-4.82
Dipole, Da:	3.81
IP(EA), eV:	-9.66(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-[(R)-tert-butylsulfinyl]-2-ethenyl-3-(4-methoxyphenyl)aziridine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1[C@@H]([C@H]1C2=CC=CC=C2)C=C

DOS

IR

Vibrations