Geometry & MOs

Info

ID:

162490

PubChem CID:

57394847

Reduced:

NaN2S2O4H10C11 (1)

Stoich.:

AB2C2D4E10F11 (1)

Weight, g/mol:

232.121178

ΔHf, kcal/mol:

-185.76

Dipole, Da:

8.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759773

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-benzoylazetidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CN=C(S1)NC(=O)C2=CC=CC=C2O.[Na+]

DOS

IR

Vibrations