Geometry & MOs

Info

ID:	370476
PubChem CID:	127339011
Reduced:	FSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-152.3
Dipole, Da:	3.8
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-2-oxopyrrolidin-3-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)C2CSC3(N2C(=O)CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations