Geometry & MOs

Info

ID:	349400
PubChem CID:	127275187
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-78.56
Dipole, Da:	5.26
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCOCC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations