Geometry & MOs

Info

ID:	390072
PubChem CID:	134996936
Reduced:	ON2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	350.142067
ΔH_f, kcal/mol:	12.64
Dipole, Da:	5.53
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-tert-butyl-2-[(1R,2R)-1-tert-butyl-1-sulfanylidene-1lambda5-phospholan-2-yl]-1-sulfanylidene-1lambda5-phospholane

Drug info:

PubChemData

Smile

C1CCC23CN(C(C2C1)C(=O)C4=C3C=C(C=C4)C#N)CC5CCC5

DOS

IR

Vibrations