Geometry & MOs

Info

ID:	135903
PubChem CID:	51955935
Reduced:	ClSN3O4C17H24 (1)
Stoich.:	ABC3D4E17F24 (1)
Weight, g/mol:	351.182101
ΔH_f, kcal/mol:	-181.12
Dipole, Da:	3.37
IP(EA), eV:	-8.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-benzyl-6-[2-(propan-2-ylamino)pyridin-1-ium-1-carbonyl]-4,5-dihydropyridazin-3-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC[C@H](C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl

DOS

IR

Vibrations