Geometry & MOs

Info

ID:	351826
PubChem CID:	127282226
Reduced:	FSO2N3C20H28 (1)
Stoich.:	ABC2D3E20F28 (1)
Weight, g/mol:	363.198048
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	4.82
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

DOS

IR

Vibrations