Geometry & MOs

Info

ID:	322171
PubChem CID:	126669051
Reduced:	SF3O4N6H31C32 (1)
Stoich.:	AB3C4D6E31F32 (1)
Weight, g/mol:	125.975154
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	2.62
IP(EA), eV:	-8.17(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3,4-dichlorodiazetidine

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)C)N/C(=N/C(=O)NC2=C(C=C(C=C2)OCC3=NN(C=N3)C4=CC=C(C=C4)OC(F)(F)F)OC)/SCC#C

DOS

IR

Vibrations