Geometry & MOs

Info

ID:	151881
PubChem CID:	56310705
Reduced:	O2S2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	472.214427
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	5.3
IP(EA), eV:	-8.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-1-[2-oxo-2-[4-(thiophene-2-carbonylamino)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)SC=C2

DOS

IR

Vibrations