Geometry & MOs

Info

ID:	89936
PubChem CID:	49965441
Reduced:	ClFOSN4H20C24 (1)
Stoich.:	ABCDE4F20G24 (1)
Weight, g/mol:	440.070989
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	7.35
IP(EA), eV:	-8.55(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-chloro-2,5-dimethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=CC(=C(C=C4)F)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations