Geometry & MOs

Info

ID:	406951
PubChem CID:	135078982
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	353.14495
ΔH_f, kcal/mol:	3.26
Dipole, Da:	7.05
IP(EA), eV:	-9.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-hex-1-ynyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine

Drug info:

PubChemData

Smile

CC#CC(=O)N(CC=O)CC1=CC=CC=C1

DOS

IR

Vibrations