Geometry & MOs

Info

ID:	361227
PubChem CID:	127302182
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	364.120526
ΔH_f, kcal/mol:	22.59
Dipole, Da:	5.27
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCN(CC3)C4=NC=CS4

DOS

IR

Vibrations