Geometry & MOs

Info

ID:	359931
PubChem CID:	127300065
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	373.203528
ΔH_f, kcal/mol:	-94.11
Dipole, Da:	7.85
IP(EA), eV:	-9.46(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(oxolan-3-ylmethylsulfonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCCN2S(=O)(=O)CC3CCOC3

DOS

IR

Vibrations