Geometry & MOs

Info

ID:	49860
PubChem CID:	11533976
Reduced:	SN3O3C32H35 (1)
Stoich.:	AB3C3D32E35 (1)
Weight, g/mol:	543.165574
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	7.97
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-4a,8a-dihydro-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C(CCCCN2C=C(C3=C2N=CC=C3)C4=CC=CC=C4)C5CCC=C5

DOS

IR

Vibrations