Geometry & MOs

Info

ID:

47423

PubChem CID:

10532529

Reduced:

NaN2S2O4H29C39 (1)

Stoich.:

AB2C2D4E29F39 (1)

Weight, g/mol:

679.37337

ΔHf, kcal/mol:

-20.24

Dipole, Da:

11.98

IP(EA), eV:

 -8.32(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(22S,23S)-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-17-(1-propoxyethyl)-4-propyl-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1(24),2(7),6(27),8,10,12,14,16,18,20-decaen-23-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)(C7=CC=CS7)SCC(=O)[O-].[Na+]

DOS

IR

Vibrations