Geometry & MOs

Info

ID:

181920

PubChem CID:

76813933

Reduced:

O3N5C24H31 (1)

Stoich.:

A3B5C24D31 (1)

Weight, g/mol:

575.064187

ΔHf, kcal/mol:

-34.72

Dipole, Da:

9.0

IP(EA), eV:

 -8.51(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN4C3=NOCC4CC(=O)NC(C)C)OC

DOS

IR

Vibrations