Geometry & MOs

Info

ID:	56296
PubChem CID:	17425014
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	5.84
IP(EA), eV:	-9.09(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-(4-propylphenyl)-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations