Geometry & MOs

Info

ID:	235856
PubChem CID:	92710905
Reduced:	FSO3N4C16H19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	7.6
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3,4-dimethylphenyl)-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)NC3=CC=C(C=C3)F

DOS

IR

Vibrations