Geometry & MOs

Info

ID:	318393
PubChem CID:	126651085
Reduced:	S2N3O5C20H23 (1)
Stoich.:	A2B3C5D20E23 (1)
Weight, g/mol:	231.02588
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	4.21
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-bromoethynyl)azetidin-1-yl]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=C(C1=O)SC(=C2)C#CC#CC3CN(C3)C)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations