Geometry & MOs

Info

ID:	73518
PubChem CID:	48418015
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	3.58
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations