Geometry & MOs

Info

ID:

175779

PubChem CID:

75945850

Reduced:

BrO2N3C19H29 (1)

Stoich.:

AB2C3D19E29 (1)

Weight, g/mol:

288.150764

ΔHf, kcal/mol:

-71.58

Dipole, Da:

9.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753072

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1CCC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations