Geometry & MOs

Info

ID:

180257

PubChem CID:

76604761

Reduced:

SiN3O15C55H81 (1)

Stoich.:

AB3C15D55E81 (1)

Weight, g/mol:

854.45649

ΔHf, kcal/mol:

-628.69

Dipole, Da:

8.58

IP(EA), eV:

 -9.11(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[2-hydroxy-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-7,19,20,20-tetramethyl-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=CN=CO6)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)CN8CCC8CO

DOS

IR

Vibrations