Geometry & MOs

Info

ID:

192230

PubChem CID:

78248175

Reduced:

ClOSN3C13H15 (1)

Stoich.:

ABCD3E13F15 (1)

Weight, g/mol:

278.126657

ΔHf, kcal/mol:

39.6

Dipole, Da:

6.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.873347

Charge, e:

 0

Chem-info

IUPAC name:

4-anilino-3-morpholin-4-ium-4-yl-4-oxobutanoate

Drug info:

PubChemData

Smile

C1CC([NH2+]C1)C2=NN=C(O2)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations