Geometry & MOs

Info

ID:	357206
PubChem CID:	127293710
Reduced:	ON7C16H23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	16.66
Dipole, Da:	2.12
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)CN3C=NC4=C(N=CN=C43)N

DOS

IR

Vibrations