Geometry & MOs

Info

ID:

44957

PubChem CID:

10506823

Reduced:

O10C29H40 (1)

Stoich.:

A10B29C40 (1)

Weight, g/mol:

548.277404

ΔHf, kcal/mol:

-393.67

Dipole, Da:

2.39

IP(EA), eV:

 -9.81(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,5S,10S,11S)-8-hydroxy-10,11-dimethoxy-4,5-bis(phenylmethoxy)cyclododeca-2,6-diyn-1-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)O)C)COC(=O)/C=C(\C)/CCO

DOS

IR

Vibrations