Geometry & MOs

Info

ID:	383330
PubChem CID:	134975001
Reduced:	RhP2S2O8C26H28 (1)
Stoich.:	AB2C2D8E26F28 (1)
Weight, g/mol:	296.027217
ΔH_f, kcal/mol:	-304.93
Dipole, Da:	34.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780071
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-6-(1-benzothiophen-2-yl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine

Drug info:

PubChemData

Smile

C1[C@@H]2C(CO[PH+](O1)C3=CC4=CC=CC=C4S3)OCO2.C1C2C(CO[PH+](O1)C3=CC4=CC=CC=C4S3)OCO2.[Rh]

DOS

IR

Vibrations