Geometry & MOs

Info

ID:

410541

PubChem CID:

135083340

Reduced:

AlO2H31C45 (1)

Stoich.:

AB2C31D45 (1)

Weight, g/mol:

438.188983

ΔHf, kcal/mol:

32.15

Dipole, Da:

1.1

IP(EA), eV:

 -8.43(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,7S,9R,10S,13R)-2,7,9-trihydroxy-13-methyl-16-(2-methylbutanoyl)spiro[4,8,12-trioxapentacyclo[7.6.1.01,6.07,13.010,14]hexadecane-3,2'-oxolane]-11-one

Drug info:

PubChemData

Smile

C[Al]1OC2=C(C3=CC=CC=C3C=C2C4=CC=C(C=C4)C5=CC=CC=C5)C6=C(O1)C(=CC7=CC=CC=C76)C8=CC=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations