Geometry & MOs

Info

ID:

437211

PubChem CID:

135215929

Reduced:

O5N10F11H45C60 (1)

Stoich.:

A5B10C11D45E60 (1)

Weight, g/mol:

320.192235

ΔHf, kcal/mol:

-486.5

Dipole, Da:

6.52

IP(EA), eV:

 -9.64(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-propan-2-yl-2-[5-(2-propan-2-yl-1,3-thiazol-5-yl)hexan-2-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)N[C@@H](CC3=CC(=C(C(=C3)F)C4=CC(=C(N=C4)[C@H](CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C(C8CC8C7=O)C(=N6)C(F)F)C9=CC(=C(C=C9)F)C(=O)N)F)C1=C(C=CC=N1)C1=CC(=C(C=C1)F)C(=O)N

DOS

IR

Vibrations