Geometry & MOs

Info

ID:	191362
PubChem CID:	78137582
Reduced:	O3N6C28H32 (1)
Stoich.:	A3B6C28D32 (1)
Weight, g/mol:	506.158804
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	9.14
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-5-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C3CCCCN3C(=O)C4=C(C=C5CCCC5=C4)OC)N=C1N6CC(C(C6)O)C#N

DOS

IR

Vibrations