Geometry & MOs

Info

ID:	235862
PubChem CID:	92710927
Reduced:	SO3N6C19H26 (1)
Stoich.:	AB3C6D19E26 (1)
Weight, g/mol:	406.131091
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	6.38
IP(EA), eV:	-8.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations