Geometry & MOs

Info

ID:

439459

PubChem CID:

135229233

Reduced:

SO2F3N5C17H18 (1)

Stoich.:

AB2C3D5E17F18 (1)

Weight, g/mol:

767.321844

ΔHf, kcal/mol:

-145.08

Dipole, Da:

7.9

IP(EA), eV:

 -9.41(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,5S,6S,16E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16-tetraen-6-yl] (2S)-2-[methyl(4-methylsulfanylbutanoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2CC2)C3=NC4=C(N3C)N=CC(=C4)C(F)(F)F

DOS

IR

Vibrations