Geometry & MOs

Info

ID:

299334

PubChem CID:

117682671

Reduced:

PO5C7H13 (2)

Stoich.:

AB5C7D13 (2)

Weight, g/mol:

936.201904

ΔHf, kcal/mol:

-589.55

Dipole, Da:

4.94

IP(EA), eV:

 -10.01(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,4R,7S,9S,10S,12R,15S)-4-acetyloxy-15-[2-[2-(2,2-dichloroethenyldisulfanyl)ethoxycarbonyloxy]-3-phenylbutanoyl]oxy-1,9,12-trihydroxy-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

CC1C(OC2C1OP(=O)(OCC3C(C(C(O3)C)OP(=O)(OC2)O)C)O)C

DOS

IR

Vibrations