Geometry & MOs

Info

ID:

47515

PubChem CID:

10533677

Reduced:

Si3O6C50H94 (1)

Stoich.:

A3B6C50D94 (1)

Weight, g/mol:

876.05817

ΔHf, kcal/mol:

-556.54

Dipole, Da:

1.52

IP(EA), eV:

 -8.23(0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[(E)-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxo-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethylidene]hydrazinylidene]-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H]([C@@H]([C@@H](C4)O[Si](C)(C)C(C)(C)C)OCCCOC(=O)C)O[Si](C)(C)C(C)(C)C)C)C

DOS

IR

Vibrations