Geometry & MOs

Info

ID:	407374
PubChem CID:	135079952
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	339.1293
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	4.41
IP(EA), eV:	-9.15(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-2-(2-phenylethynyl)-3-propylaziridine

Drug info:

PubChemData

Smile

CC=C(C)C(C)C(C)C(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations