Geometry & MOs

Info

ID:	228613
PubChem CID:	87565420
Reduced:	NH2C4Br9 (1)
Stoich.:	AB2C4D9 (1)
Weight, g/mol:	260.030588
ΔH_f, kcal/mol:	40.74
Dipole, Da:	1.46
IP(EA), eV:	-9.82(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane

Drug info:

PubChemData

Smile

C(C(Br)(Br)Br)(C(Br)(Br)Br)(C(Br)(Br)Br)N

DOS

IR

Vibrations