Geometry & MOs

Info

ID:	357235
PubChem CID:	127293739
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-112.98
Dipole, Da:	5.45
IP(EA), eV:	-8.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations