Geometry & MOs

Info

ID:	350593
PubChem CID:	127278628
Reduced:	FO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	-178.32
Dipole, Da:	7.78
IP(EA), eV:	-9.02(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-anilinopyrrolidin-1-yl)-2-(1,1-dioxothiolan-3-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC(=O)N2CCCC(C2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations