Geometry & MOs

Info

ID:	90021
PubChem CID:	49965834
Reduced:	F2O2N3H19C24 (1)
Stoich.:	A2B2C3D19E24 (1)
Weight, g/mol:	462.12811
ΔH_f, kcal/mol:	-65.86
Dipole, Da:	9.32
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1C/C(=C\C2=CC(=CC=C2)F)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC(=CC=C4)F

DOS

IR

Vibrations