Geometry & MOs

Info

ID:	73536
PubChem CID:	48418068
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	401.13734
ΔH_f, kcal/mol:	23.24
Dipole, Da:	5.75
IP(EA), eV:	-8.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations