Geometry & MOs

Info

ID:	349010
PubChem CID:	127274736
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-166.93
Dipole, Da:	5.22
IP(EA), eV:	-8.85(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C

DOS

IR

Vibrations