Geometry & MOs

Info

ID:

180256

PubChem CID:

76604760

Reduced:

FSiN2O13C55H77 (1)

Stoich.:

ABC2D13E55F77 (1)

Weight, g/mol:

1051.543695

ΔHf, kcal/mol:

-606.49

Dipole, Da:

2.33

IP(EA), eV:

 -8.87(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-16-hydroxy-4-[[2-(hydroxymethyl)azetidin-1-yl]methyl]-7,19,20,20-tetramethyl-18-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-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(C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)OC(O3)(C)C=C

DOS

IR

Vibrations