Geometry & MOs

Info

ID:	364329
PubChem CID:	127315428
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-132.38
Dipole, Da:	8.56
IP(EA), eV:	-9.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyloxy-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]butanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC1C(=O)NC2CC2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations