Geometry & MOs

Info

ID:	72559
PubChem CID:	48416304
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	6.54
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(9-oxobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCCC(C3)N4CCNC4=O)C

DOS

IR

Vibrations