Geometry & MOs

Info

ID:	352003
PubChem CID:	127282921
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	5.68
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[2-(3-methylphenyl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations