Geometry & MOs

Info

ID:	345873
PubChem CID:	127270173
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	3.02
IP(EA), eV:	-8.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-oxo-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC4=NC=CN=C4C=C3

DOS

IR

Vibrations