Geometry & MOs

Info

ID:	343237
PubChem CID:	127266410
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	3.68
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylbenzoyl)-N-[(3S)-2-oxooxolan-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=NSC(=C1)C(=O)N2C3CCC2CC(C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations