Geometry & MOs

Info

ID:

233171

PubChem CID:

87692782

Reduced:

FS2N4O8C41H43 (1)

Stoich.:

AB2C4D8E41F43 (1)

Weight, g/mol:

527.164361

ΔHf, kcal/mol:

-222.62

Dipole, Da:

8.08

IP(EA), eV:

 -8.58(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-N-(2,2-dimethylpropyl)-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCOC2=C(C1)C3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC=C4.C1COC2=C(CN1CCF)C3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations