Geometry & MOs

Info

ID:

383329

PubChem CID:

134974996

Reduced:

N2O3C16H28 (1)

Stoich.:

A2B3C16D28 (1)

Weight, g/mol:

696.97558

ΔHf, kcal/mol:

-182.6

Dipole, Da:

3.65

IP(EA), eV:

 -9.46(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C1CC2=C(CC(CC2(NC1=O)O)(C)C)O)N

DOS

IR

Vibrations