Geometry & MOs

Info

ID:

127226

PubChem CID:

50995193

Reduced:

F5N5O5H24C29 (1)

Stoich.:

A5B5C5D24E29 (1)

Weight, g/mol:

468.105682

ΔHf, kcal/mol:

-257.1

Dipole, Da:

6.37

IP(EA), eV:

 -9.42(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)C2=NOC(=C2)C(C(=O)OCCCO)N3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)C=N3)C(F)(F)F

DOS

IR

Vibrations