Geometry & MOs

Info

ID:

214488

PubChem CID:

85083116

Reduced:

O7H32C33 (1)

Stoich.:

A7B32C33 (1)

Weight, g/mol:

540.266936

ΔHf, kcal/mol:

-225.86

Dipole, Da:

12.02

IP(EA), eV:

 -8.92(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2CC(OC3=C2C(=C(C4=C3C=CC(=O)O4)C(C)(C)C=C)O1)(C)C=CC5=C(C=C6C(=C5)C=CC(=O)O6)O)C

DOS

IR

Vibrations