Geometry & MOs

Info

ID:

227379

PubChem CID:

87561582

Reduced:

ClFS2O3N4H28C35 (1)

Stoich.:

ABC2D3E4F28G35 (1)

Weight, g/mol:

634.150861

ΔHf, kcal/mol:

-28.96

Dipole, Da:

3.01

IP(EA), eV:

 -8.86(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-2-[4-(2-pyridin-2-ylethoxy)phenyl]-4-thieno[3,2-b]pyridin-7-yloxyphenyl]carbamothioyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C(=C(C=C2)OC3=C4C(=NC=C3)C=CS4)F)C5=CC=C(C=C5)OCCC6=CC=CC=N6.Cl

DOS

IR

Vibrations