Geometry & MOs

Info

ID:

214493

PubChem CID:

85083121

Reduced:

SN3O8C26H27 (1)

Stoich.:

AB3C8D26E27 (1)

Weight, g/mol:

541.250952

ΔHf, kcal/mol:

-222.19

Dipole, Da:

2.02

IP(EA), eV:

 -8.88(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-ethyl-3-[1-fluoro-2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethenyl]-7,11-dihydroxy-8,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Drug info:

PubChemData

Smile

CN(CCO)C(=O)OCC1=C(N2C(C(C2=O)NC=O)S(=O)C1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations