Geometry & MOs

Info

ID:

178420

PubChem CID:

76326443

Reduced:

ClFOSN6H14C19 (1)

Stoich.:

ABCDE6F14G19 (1)

Weight, g/mol:

829.38847

ΔHf, kcal/mol:

116.43

Dipole, Da:

8.8

IP(EA), eV:

 -9.27(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-4,4-dimethyl-3-(2-methylpropoxycarbonylamino)pentanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=NNC(=S)N2N/C=C/3\C=NN=C3C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations