Geometry & MOs

Info

ID:

43901

PubChem CID:

10321955

Reduced:

PSN5O6C17H26 (1)

Stoich.:

ABC5D6E17F26 (1)

Weight, g/mol:

460.15167

ΔHf, kcal/mol:

-261.07

Dipole, Da:

4.74

IP(EA), eV:

 -8.72(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,3'aR,5'aS,10'aS,10'bS)-3'a-phenylselanyl-1'-propan-2-ylspiro[1,3-dioxolane-2,6'-2,3,5,5a,7,8,10a,10b-octahydro-1H-cyclohepta[e]indene]-4'-one

Drug info:

PubChemData

Smile

CCCCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC)N

DOS

IR

Vibrations