Geometry & MOs

Info

ID:	61814
PubChem CID:	26713316
Reduced:	SN3O4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	448.193297
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	4.05
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=N\OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations