Geometry & MOs

Info

ID:

233071

PubChem CID:

87692382

Reduced:

N3S3O12H29C31 (1)

Stoich.:

A3B3C12D29E31 (1)

Weight, g/mol:

497.074296

ΔHf, kcal/mol:

-334.8

Dipole, Da:

8.84

IP(EA), eV:

 -8.28(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-(3-chloro-2-fluorophenoxy)-6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)COCC(=O)CNC2=CC3=C(C=C2)N(/C(=C\C=C\C=C\4/C(=O)C5=CC=CC=C5S4(=O)=O)/S3)CCCS(=O)(=O)O

DOS

IR

Vibrations