Geometry & MOs

Info

ID:

180255

PubChem CID:

76604759

Reduced:

FN2O13C48H61 (1)

Stoich.:

AB2C13D48E61 (1)

Weight, g/mol:

1020.517895

ΔHf, kcal/mol:

-529.83

Dipole, Da:

5.0

IP(EA), eV:

 -9.32(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-4-ethenyl-18-[3-(3-fluoropyridin-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoyl]oxy-16-hydroxy-4,7,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate

Drug info:

PubChemData

Smile

CC1=C2C3C(C4(CCC5C(C4C(C(C2(C)C)(CC1OC(=O)C(C)(C(C(C)F)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)OC(O3)CN8CCC8CO

DOS

IR

Vibrations