Geometry & MOs

Info

ID:	344632
PubChem CID:	127268217
Reduced:	FON6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-0.51
Dipole, Da:	0.57
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C4=NN=CC=C4

DOS

IR

Vibrations