Geometry & MOs

Info

ID:

381191

PubChem CID:

134971846

Reduced:

PO7C30H33 (1)

Stoich.:

AB7C30D33 (1)

Weight, g/mol:

527.31137

ΔHf, kcal/mol:

-225.35

Dipole, Da:

1.81

IP(EA), eV:

 -8.5(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2,5,10,13-tetramethyl-17-octyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)iodanium

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O/C(=C\4/C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)/O)C

DOS

IR

Vibrations