Geometry & MOs

Info

ID:

215393

PubChem CID:

85084674

Reduced:

SN6O11C44H56 (1)

Stoich.:

AB6C11D44E56 (1)

Weight, g/mol:

878.326204

ΔHf, kcal/mol:

-419.66

Dipole, Da:

8.91

IP(EA), eV:

 -8.89(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC2(C(=O)OC(=N2)C3CCCN3C(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)OC(C)(C)C)C(=O)CCC(=O)OC)N)C)C)OC

DOS

IR

Vibrations