Geometry & MOs

Info

ID:	73503
PubChem CID:	48417937
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-57.93
Dipole, Da:	3.69
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CC2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations