Geometry & MOs

Info

ID:

215571

PubChem CID:

85084920

Reduced:

N2O14H60C61 (1)

Stoich.:

A2B14C60D61 (1)

Weight, g/mol:

1044.468482

ΔHf, kcal/mol:

-430.02

Dipole, Da:

5.16

IP(EA), eV:

 -9.24(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-15-[2-(1-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoyl]oxy-1,11-dihydroxy-10,14,17,17-tetramethyl-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1C(C(C(C(O1)OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5)OC6C(C(C(C(O6)COCC7=CC=CC=C7)O)OCC8=CC=CC=C8)N9C(=O)C1=CC=CC=C1C9=O

DOS

IR

Vibrations