Geometry & MOs

Info

ID:	324261
PubChem CID:	126677261
Reduced:	BrClIP2S3C6O6H8 (1)
Stoich.:	ABCD2E3F6G6H8 (1)
Weight, g/mol:	138.036515
ΔH_f, kcal/mol:	-273.69
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.272269
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-chloropentan-3-yl]phosphane

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1[C@]([C@@H]([C@H](O1)CO[S-](#P)I)OS#P)(Cl)Br

DOS

IR

Vibrations