Geometry & MOs

Info

ID:	362592
PubChem CID:	127308363
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-67.68
Dipole, Da:	4.14
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyquinolin-6-yl)-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)N3CCN4CCCC4C3

DOS

IR

Vibrations