Geometry & MOs

Info

ID:	64697
PubChem CID:	29203870
Reduced:	FSO3N4C23H29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	10.02
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-butoxypropyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations