Geometry & MOs

Info

ID:

40086

PubChem CID:

8143543

Reduced:

S2N4C14H19 (1)

Stoich.:

A2B4C14D19 (1)

Weight, g/mol:

347.184506

ΔHf, kcal/mol:

97.17

Dipole, Da:

10.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.811561

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[(Z)-(4-oxo-4-piperidin-1-ylbutan-2-ylidene)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3

DOS

IR

Vibrations