Geometry & MOs

Info

ID:	387078
PubChem CID:	134983901
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	585.14678
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	3.29
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-(4-bromophenyl)-3-(4-chlorophenyl)-2-decyl-2-[(R)-(4-methylphenyl)sulfinyl]aziridine

Drug info:

PubChemData

Smile

CCCCCCN1[C@H]([C@@H]1C(=O)OCC)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations