Geometry & MOs

Info

ID:	318464
PubChem CID:	126651442
Reduced:	BrNS2O5C12H14 (1)
Stoich.:	ABC2D5E12F14 (1)
Weight, g/mol:	315.01201
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	6.24
IP(EA), eV:	-9.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-iodophenyl)-1-(oxetan-3-yl)azetidine

Drug info:

PubChemData

Smile

CC(CCN1CC2=C(C1=O)SC(=C2)Br)(C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations