Geometry & MOs

Info

ID:	351910
PubChem CID:	127282828
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	4.76
IP(EA), eV:	-9.18(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations