Geometry & MOs

Info

ID:

315672

PubChem CID:

126628427

Reduced:

SO6C7H10 (1)

Stoich.:

AB6C7D10 (1)

Weight, g/mol:

733.346211

ΔHf, kcal/mol:

-226.98

Dipole, Da:

9.05

IP(EA), eV:

 -10.65(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,5R,10S,13R,16S)-16-[(2R,3S)-3-acetamido-2-methoxy-3-phenylpropanoyl]oxy-1,10,13-trihydroxy-5,11,15,18,18-pentamethyl-12-oxo-7-oxatetracyclo[12.3.1.04,11.05,8]octadec-14-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(=C)OC=C(C(=O)OC)S(=O)(=O)O

DOS

IR

Vibrations