Geometry & MOs

Info

ID:	360513
PubChem CID:	127301158
Reduced:	ClN4O4C16H19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	305.083413
ΔH_f, kcal/mol:	-149.1
Dipole, Da:	3.47
IP(EA), eV:	-8.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)CC(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

DOS

IR

Vibrations