Geometry & MOs

Info

ID:

325590

PubChem CID:

126684102

Reduced:

N4O13C56H78 (1)

Stoich.:

A4B13C56D78 (1)

Weight, g/mol:

801.456431

ΔHf, kcal/mol:

-430.31

Dipole, Da:

11.28

IP(EA), eV:

 -8.6(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-15-[2-(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxyethyl]-5,9,13-trimethyl-7-[2-[4-(4-phenylphenyl)triazol-1-yl]ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione

Drug info:

PubChemData

Smile

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DOS

IR

Vibrations