Geometry & MOs

Info

ID:	214345
PubChem CID:	84975230
Reduced:	SN2F3O3C19H19 (1)
Stoich.:	AB2C3D3E19F19 (1)
Weight, g/mol:	306.145381
ΔH_f, kcal/mol:	-224.87
Dipole, Da:	6.37
IP(EA), eV:	-9.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations