Geometry & MOs

Info

ID:

187588

PubChem CID:

77594595

Reduced:

ClFO3N4C26H26 (1)

Stoich.:

ABC3D4E26F26 (1)

Weight, g/mol:

598.303716

ΔHf, kcal/mol:

-105.67

Dipole, Da:

4.07

IP(EA), eV:

 -9.22(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoyl]-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC(C(C1)C(=O)N(C)C2=C(C=C(C=C2)N3C=CC=CC3=O)F)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations