Geometry & MOs

Info

ID:	187833
PubChem CID:	77632901
Reduced:	SN4O4C26H36 (1)
Stoich.:	AB4C4D26E36 (1)
Weight, g/mol:	536.155738
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	3.82
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(2-fluorophenyl)-N-[1-[2-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride

Drug info:

PubChemData

Smile

CCCCC(C(C(=O)NC(C)C1=CC=CC=C1)O)N(CC2(CCC2)CSC3=NC=CC=N3)C(=O)O

DOS

IR

Vibrations