Geometry & MOs

Info

ID:

172996

PubChem CID:

75581220

Reduced:

OPN2F6H14C16 (2)

Stoich.:

ABC2D6E14F16 (2)

Weight, g/mol:

981.306398

ΔHf, kcal/mol:

-793.38

Dipole, Da:

13.1

IP(EA), eV:

 -9.27(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-15-[3-[[2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-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

COC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C3=CN=CC(=N3)[N+]4=CC=C(C=C4)C=CC5=CC=C(C=C5)OC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations