Geometry & MOs

Info

ID:	235865
PubChem CID:	92710935
Reduced:	S2O3N4C15H20 (1)
Stoich.:	A2B3C4D15E20 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	7.54
IP(EA), eV:	-9.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CS3

DOS

IR

Vibrations