Geometry & MOs

Info

ID:

416677

PubChem CID:

135090018

Reduced:

FNSO5C17H24 (1)

Stoich.:

ABCD5E17F24 (1)

Weight, g/mol:

659.346504

ΔHf, kcal/mol:

-264.6

Dipole, Da:

4.28

IP(EA), eV:

 -9.56(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-13-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-15-ethyl-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)O

DOS

IR

Vibrations