Geometry & MOs

Info

ID:

188850

PubChem CID:

77774488

Reduced:

SO2F3N3H6C12 (1)

Stoich.:

AB2C3D3E6F12 (1)

Weight, g/mol:

789.575483

ΔHf, kcal/mol:

-140.13

Dipole, Da:

3.65

IP(EA), eV:

 -9.6(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-12-yl)prop-1-enyl]-2-methoxycyclohexyl] acetate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C3C=NNC3=NC(=C2C(=O)O)C(F)(F)F

DOS

IR

Vibrations