Geometry & MOs

Info

ID:

168978

PubChem CID:

75048723

Reduced:

FeN2S2O8C40H44 (1)

Stoich.:

AB2C2D8E40F44 (1)

Weight, g/mol:

460.222568

ΔHf, kcal/mol:

-131.32

Dipole, Da:

6.43

IP(EA), eV:

 -8.48(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;8-benzoyloxy-2,6,13-trimethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.COC(=O)C(CC1=CC=CC=C1)NC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

DOS

IR

Vibrations