Geometry & MOs

Info

ID:	286214
PubChem CID:	104162344
Reduced:	NSO3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-158.36
Dipole, Da:	3.11
IP(EA), eV:	-9.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(methylamino)propyl]-1,3-benzothiazine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(CCN1C(=O)CCSC1=O)O

DOS

IR

Vibrations