Geometry & MOs

Info

ID:

395062

PubChem CID:

135024552

Reduced:

ClIO2H10C11 (1)

Stoich.:

ABC2D10E11 (1)

Weight, g/mol:

624.341067

ΔHf, kcal/mol:

-62.57

Dipole, Da:

5.16

IP(EA), eV:

 -9.57(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3Z,6E)-9-[4-[4-[(1R)-1-methoxy-2-[(2R,4R,6R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]ethyl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2,4-dimethylnona-3,6-dien-1-ol

Drug info:

PubChemData

Smile

C1C[C@](OC1=O)(CI)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations