Geometry & MOs

Info

ID:	73481
PubChem CID:	48417872
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	417.162332
ΔH_f, kcal/mol:	-9.2
Dipole, Da:	3.26
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations