Geometry & MOs

Info

ID:

160753

PubChem CID:

57389688

Reduced:

SF3N3O4H28C29 (1)

Stoich.:

AB3C3D4E28F29 (1)

Weight, g/mol:

605.13629

ΔHf, kcal/mol:

-196.0

Dipole, Da:

4.47

IP(EA), eV:

 -8.94(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[[3-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)OCC4=C(ON=C4C5=CC=CC=C5C(F)(F)F)C6CC6

DOS

IR

Vibrations