Geometry & MOs

Info

ID:	124308
PubChem CID:	50878201
Reduced:	SN4O6H16C18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	6.39
IP(EA), eV:	-9.56(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-propyl-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)CC(C(=O)O)NCC3=CC=CO3

DOS

IR

Vibrations