Geometry & MOs

Info

ID:	356660
PubChem CID:	127292079
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	10.97
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-(4-imidazol-1-ylpiperidin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C(=O)N2)C(=O)N3CCC(CC3)N4C=CN=C4)C(=O)C1)C

DOS

IR

Vibrations