Geometry & MOs

Info

ID:	73476
PubChem CID:	48417841
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	2.61
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)NC3CCN(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations