Geometry & MOs

Info

ID:

160857

PubChem CID:

57390007

Reduced:

SF3N3O4C30H30 (1)

Stoich.:

AB3C3D4E30F30 (1)

Weight, g/mol:

573.154527

ΔHf, kcal/mol:

-197.51

Dipole, Da:

6.28

IP(EA), eV:

 -8.92(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]azepan-1-yl]-1,3-benzothiazole-6-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N3CCCC(CC3)OCC4=C(ON=C4C5=CC=CC=C5C(F)(F)F)C6CC6

DOS

IR

Vibrations