Geometry & MOs

Info

ID:

215474

PubChem CID:

85084791

Reduced:

NO13C55H55 (1)

Stoich.:

AB13C55D55 (1)

Weight, g/mol:

939.331349

ΔHf, kcal/mol:

-380.3

Dipole, Da:

4.81

IP(EA), eV:

 -8.57(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl]oxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)N)OCC8=CC=CC=C8

DOS

IR

Vibrations