Geometry & MOs

Info

ID:

311320

PubChem CID:

126590439

Reduced:

FSN3O3H26C27 (1)

Stoich.:

ABC3D3E26F27 (1)

Weight, g/mol:

559.205339

ΔHf, kcal/mol:

-75.43

Dipole, Da:

6.58

IP(EA), eV:

 -8.64(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-ethyl-N-[4-[2-[1-[[ethyl(methyl)amino]methylideneamino]ethenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N'-phenylpropanediamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)OC2=C3C(=NC=C2)C=C(S3)C4=CC=CC(=C4)CN5CCOCC5)F

DOS

IR

Vibrations