Geometry & MOs

Info

ID:	89925
PubChem CID:	49965406
Reduced:	OSCl2N4H20C24 (1)
Stoich.:	ABC2D4E20F24 (1)
Weight, g/mol:	466.103038
ΔH_f, kcal/mol:	24.76
Dipole, Da:	7.36
IP(EA), eV:	-8.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-N-(4-chloro-2-fluorophenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations