Geometry & MOs

Info

ID:	182433
PubChem CID:	76888703
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	464.16306
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	6.3
IP(EA), eV:	-8.49(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-4aH-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C=C3C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O

DOS

IR

Vibrations