Geometry & MOs

Info

ID:	346536
PubChem CID:	127271040
Reduced:	FSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	7.46
Dipole, Da:	7.76
IP(EA), eV:	-9.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-5-oxopyrrolidin-3-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CSC(=N2)C3CC3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations