Geometry & MOs

Info

ID:	357398
PubChem CID:	127294031
Reduced:	SN2O6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-223.48
Dipole, Da:	6.01
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations