Geometry & MOs

Info

ID:

127021

PubChem CID:

50987658

Reduced:

SO6C39H68 (1)

Stoich.:

AB6C39D68 (1)

Weight, g/mol:

780.201859

ΔHf, kcal/mol:

-365.94

Dipole, Da:

3.27

IP(EA), eV:

 -9.03(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(5-chloro-2-methylphenyl)hydrazinylidene]-N-[4-[[(4E)-4-[(5-chloro-2-methylphenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]-3-oxonaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OCCCCCCS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C

DOS

IR

Vibrations