Geometry & MOs

Info

ID:

47444

PubChem CID:

10532693

Reduced:

N4O6H26C43 (1)

Stoich.:

A4B6C26D43 (1)

Weight, g/mol:

696.226071

ΔHf, kcal/mol:

117.18

Dipole, Da:

8.08

IP(EA), eV:

 -8.78(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-[5-[[6-[(E)-(carbamoylhydrazinylidene)methyl]-4-oxo-2-(2-pentyl-1,3-oxazol-4-yl)-1H-pyridin-3-yl]disulfanyl]-4-oxo-6-(2-pentyl-1,3-oxazol-4-yl)-1H-pyridin-2-yl]methylideneamino]urea

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NN=C(O3)C4=CC=CC(=C4)C5=CC(=C(C(=O)C(=C5O)O)O)C6=CC(=CC=C6)C7=NN=C(O7)C8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations