Geometry & MOs

Info

ID:	387037
PubChem CID:	134983764
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	485.187209
ΔH_f, kcal/mol:	-35.36
Dipole, Da:	1.26
IP(EA), eV:	-9.28(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]hexylidene]propanedioate

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations