Geometry & MOs

Info

ID:	242971
PubChem CID:	99214651
Reduced:	FSO3N5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	3.06
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-6-oxo-N-[2-(pyrazin-2-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NCCNC2=NC=CN=C2)NS(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations