Geometry & MOs

Info

ID:	131358
PubChem CID:	51194691
Reduced:	ClO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	5.72
IP(EA), eV:	-9.51(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)NNC(=O)C1=CC=CC=N1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations