Geometry & MOs

Info

ID:	365825
PubChem CID:	127318699
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	70.4
Dipole, Da:	4.21
IP(EA), eV:	-9.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations