Geometry & MOs

Info

ID:

223725

PubChem CID:

85335482

Reduced:

F3N4O6C23H31 (1)

Stoich.:

A3B4C6D23E31 (1)

Weight, g/mol:

516.255955

ΔHf, kcal/mol:

-379.92

Dipole, Da:

3.91

IP(EA), eV:

 -9.39(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-N-[3-methyl-1-oxo-1-[2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)C)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)C(F)(F)F

DOS

IR

Vibrations