Geometry & MOs

Info

ID:	73487
PubChem CID:	48417884
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	412.136925
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	1.19
IP(EA), eV:	-8.58(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations