Geometry & MOs

Info

ID:	388752
PubChem CID:	134990096
Reduced:	BrO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	182.031909
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	4.98
IP(EA), eV:	-10.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-sulfanylidene-4,9a-dihydro-1H-phosphinolizine

Drug info:

PubChemData

Smile

CCCC[C@@H]1C[C@@H]2C(=C[C@H]1C(=O)O2)Br

DOS

IR

Vibrations