Geometry & MOs

Info

ID:	79206
PubChem CID:	49747415
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	410.108248
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	9.11
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-oxo-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations