Geometry & MOs

Info

ID:

311286

PubChem CID:

126590239

Reduced:

FN2O3C30H33 (1)

Stoich.:

AB2C3D30E33 (1)

Weight, g/mol:

660.216632

ΔHf, kcal/mol:

-111.93

Dipole, Da:

5.11

IP(EA), eV:

 -8.94(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-4-[[2-[1-(2-morpholin-4-ylethyl)-2-oxopyrimidin-5-yl]-3a,7a-dihydrothieno[3,2-b]pyridin-7-yl]oxy]phenyl]-N'-(2-methoxyphenyl)propanediamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(CC5)CC4)CC(=O)O

DOS

IR

Vibrations