Geometry & MOs

Info

ID:	357238
PubChem CID:	127293742
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	7.31
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=CC4=C(CC(CC4=O)(C)C)NC3=O

DOS

IR

Vibrations