Geometry & MOs

Info

ID:

223724

PubChem CID:

85335480

Reduced:

OF4N5C27H29 (1)

Stoich.:

AB4C5D27E29 (1)

Weight, g/mol:

516.219569

ΔHf, kcal/mol:

-157.04

Dipole, Da:

6.44

IP(EA), eV:

 -9.03(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetyl-5-methyl-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-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CC2C1N(CCN3CCNCC3)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations