Geometry & MOs

Info

ID:

227349

PubChem CID:

87561424

Reduced:

ClFSN4O4H14C17 (1)

Stoich.:

ABCD4E4F14G17 (1)

Weight, g/mol:

630.413169

ΔHf, kcal/mol:

-106.05

Dipole, Da:

1.64

IP(EA), eV:

 -10.02(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,6R,10S,11S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-(2-methylbutanoyloxy)-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate

Drug info:

PubChemData

Smile

CN(CC1=NN(C(=C1)S(=O)(=O)C2=CN=C(C=C2)Cl)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations