Geometry & MOs

Info

ID:	357236
PubChem CID:	127293740
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	6.85
IP(EA), eV:	-8.36(-0.01)
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-imidazol-2-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CN2)C(=O)CCC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations