Geometry & MOs

Info

ID:	132181
PubChem CID:	51315778
Reduced:	ClN3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	6.47
IP(EA), eV:	-9.24(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-[(1-phenylcyclobutyl)methyl]-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CN2C(=C)C3=CC=CC=C3C2=O

DOS

IR

Vibrations