Geometry & MOs

Info

ID:	73490
PubChem CID:	48417897
Reduced:	OSN3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	13.02
Dipole, Da:	3.95
IP(EA), eV:	-8.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)NC3CCN(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations