Geometry & MOs

Info

ID:

143747

PubChem CID:

53253824

Reduced:

ClFN2O2H18C19 (1)

Stoich.:

ABC2D2E18F19 (1)

Weight, g/mol:

970.551804

ΔHf, kcal/mol:

-112.32

Dipole, Da:

5.26

IP(EA), eV:

 -9.18(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2E,4E,6E,8E,11S,12R)-11-[tert-butyl(dimethyl)silyl]oxy-12-[2-[(2R,4S,6S)-2,4,6-tris[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptyl]-1,3-dithian-2-yl]trideca-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

CCCCC1=CC(=O)N2CCCN3C2=C1C(=O)C4=CC(=C(C=C43)Cl)F

DOS

IR

Vibrations