Geometry & MOs

Info

ID:	311267
PubChem CID:	126590104
Reduced:	FN3O3C38H48 (1)
Stoich.:	AB3C3D38E48 (1)
Weight, g/mol:	396.105625
ΔH_f, kcal/mol:	-139.7
Dipole, Da:	3.58
IP(EA), eV:	-8.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[2-(1-propylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]formamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CNCC2CCCCC2)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)N5CCC6(CCC6)CC5)CC(=O)O

DOS

IR

Vibrations