Geometry & MOs

Info

ID:	253113
PubChem CID:	103116121
Reduced:	O4N5C11H15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	5.05
IP(EA), eV:	-9.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CCOCCO)C(=O)O

DOS

IR

Vibrations