Geometry & MOs

Info

ID:

218882

PubChem CID:

85090106

Reduced:

O4N7C27H36 (1)

Stoich.:

A4B7C27D36 (1)

Weight, g/mol:

521.271213

ΔHf, kcal/mol:

-104.41

Dipole, Da:

6.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.837368

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinylidene]-4-methyl-3-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CCC=CN1C2C(=NC1=[N+]3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4NC(=O)C(C)C)C

DOS

IR

Vibrations