Geometry & MOs

Info

ID:	318428
PubChem CID:	126651350
Reduced:	SN4O6C24H30 (1)
Stoich.:	AB4C6D24E30 (1)
Weight, g/mol:	172.98401
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	6.71
IP(EA), eV:	-8.75(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(2-bromoethynyl)-2-methylazetidine

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CNC3)(C(=O)NOC4CCCCO4)S(=O)(=O)C

DOS

IR

Vibrations