Geometry & MOs

Info

ID:	359499
PubChem CID:	127298773
Reduced:	OSN5C17H27 (1)
Stoich.:	ABC5D17E27 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	7.86
IP(EA), eV:	-8.55(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CN3CCCC3C(=O)N4CCSCC4

DOS

IR

Vibrations