Geometry & MOs

Info

ID:	122886
PubChem CID:	50825505
Reduced:	SO2N7C25H37 (1)
Stoich.:	AB2C7D25E37 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-15.08
Dipole, Da:	5.93
IP(EA), eV:	-8.37(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-acetamido-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)N4CCN(CC4)C(=O)NCCCOC)NC(C)(C)C

DOS

IR

Vibrations