Geometry & MOs

Info

ID:	175758
PubChem CID:	75943571
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	418.194223
ΔH_f, kcal/mol:	-208.4
Dipole, Da:	5.53
IP(EA), eV:	-9.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations