Geometry & MOs

Info

ID:	357232
PubChem CID:	127293736
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-55.59
Dipole, Da:	5.73
IP(EA), eV:	-8.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-(5-oxo-1,4-diazepan-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NC2=NC=CS2)CC(=O)N3CCN(CC3)C4CC4

DOS

IR

Vibrations