Geometry & MOs

Info

ID:	345853
PubChem CID:	127270153
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	2.59
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-6-oxo-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1H-pyridazine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC4=CC=CC=C4NC3=O

DOS

IR

Vibrations