Geometry & MOs

Info

ID:

162462

PubChem CID:

57394742

Reduced:

ClN3O8C22H22 (1)

Stoich.:

AB3C8D22E22 (1)

Weight, g/mol:

381.109149

ΔHf, kcal/mol:

-203.44

Dipole, Da:

8.3

IP(EA), eV:

 -8.75(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-(3-chloro-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(2,2-dimethylpropanoylamino)-N-ethyl-2H-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(/C(=C/2\C=C(C(=CC2=O)O)Cl)/ON1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations