Geometry & MOs

Info

ID:

404484

PubChem CID:

135066495

Reduced:

SO2F3N4C15H19 (1)

Stoich.:

AB2C3D4E15F19 (1)

Weight, g/mol:

492.272318

ΔHf, kcal/mol:

-185.5

Dipole, Da:

4.88

IP(EA), eV:

 -9.06(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R,8R)-2-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-formyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)NC1=CC(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)(F)F

DOS

IR

Vibrations