Geometry & MOs

Info

ID:	142875
PubChem CID:	53106251
Reduced:	S2N3O5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	445.112999
ΔH_f, kcal/mol:	-167.3
Dipole, Da:	2.97
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC)SC1=O

DOS

IR

Vibrations