Geometry & MOs

Info

ID:	155551
PubChem CID:	56365887
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	461.267842
ΔH_f, kcal/mol:	-52.41
Dipole, Da:	4.95
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-1-[(4-methylphenyl)methyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations