Geometry & MOs

Info

ID:	142871
PubChem CID:	53106247
Reduced:	S2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	459.128649
ΔH_f, kcal/mol:	-132.38
Dipole, Da:	5.82
IP(EA), eV:	-8.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C)SC1=O

DOS

IR

Vibrations