Geometry & MOs

Info

ID:

80155

PubChem CID:

49833284

Reduced:

FCl2O3N9H30C40 (1)

Stoich.:

AB2C3D9E30F40 (1)

Weight, g/mol:

391.089224

ΔHf, kcal/mol:

66.26

Dipole, Da:

7.99

IP(EA), eV:

 -9.32(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(2H-tetrazol-5-yl)phenoxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=CN7C=CN=C7C=C6)C8=CC(=C(C(=C8)Cl)F)Cl)CC9=CC=C(C=C9)C#N

DOS

IR

Vibrations