Geometry & MOs

Info

ID:	142870
PubChem CID:	53106246
Reduced:	S2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	459.128649
ΔH_f, kcal/mol:	-127.05
Dipole, Da:	6.77
IP(EA), eV:	-8.92(-0.88)
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-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations