Geometry & MOs

Info

ID:

44745

PubChem CID:

10505699

Reduced:

NO2H14C16 (2)

Stoich.:

AB2C14D16 (2)

Weight, g/mol:

505.219984

ΔHf, kcal/mol:

-71.29

Dipole, Da:

2.05

IP(EA), eV:

 -8.64(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-fluorophenyl) N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C(C(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations