Geometry & MOs

Info

ID:

168660

PubChem CID:

74999881

Reduced:

SN4O4C22H28 (1)

Stoich.:

AB4C4D22E28 (1)

Weight, g/mol:

949.38847

ΔHf, kcal/mol:

-156.52

Dipole, Da:

10.57

IP(EA), eV:

 -8.56(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C(=O)CNC(=O)CCN3C4CCSCC4C(=O)NC3=O

DOS

IR

Vibrations