Geometry & MOs

Info

ID:

445868

PubChem CID:

135269844

Reduced:

N2O10C33H38 (1)

Stoich.:

A2B10C33D38 (1)

Weight, g/mol:

399.130695

ΔHf, kcal/mol:

-358.87

Dipole, Da:

4.9

IP(EA), eV:

 -8.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-(methylideneamino)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]ethenamine

Drug info:

PubChemData

Smile

CC12CC(CC(C1)(N(C2)C(=O)OC(COC3=CC=CC=C3)OC(=O)C=C)C)NC(=O)OC(COC(=O)C=C)OC4=CC=CC=C4

DOS

IR

Vibrations