Geometry & MOs

Info

ID:	351848
PubChem CID:	127282248
Reduced:	ON2S2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	386.235162
ΔH_f, kcal/mol:	-23.42
Dipole, Da:	2.99
IP(EA), eV:	-8.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)C2=CN=C(S2)C

DOS

IR

Vibrations