Geometry & MOs

Info

ID:

227519

PubChem CID:

87561910

Reduced:

S2O3N7C21H23 (1)

Stoich.:

A2B3C7D21E23 (1)

Weight, g/mol:

462.150347

ΔHf, kcal/mol:

-2.71

Dipole, Da:

13.86

IP(EA), eV:

 -8.74(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[3-[2-(2,5-difluorophenyl)ethyl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

CC(C)N1N=C(N=N1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations