Geometry & MOs

Info

ID:	351822
PubChem CID:	127282222
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	5.46
IP(EA), eV:	-8.48(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations