Geometry & MOs

Info

ID:

187430

PubChem CID:

77571709

Reduced:

Br2O6N9C38H51 (1)

Stoich.:

A2B6C9D38E51 (1)

Weight, g/mol:

401.186318

ΔHf, kcal/mol:

-228.22

Dipole, Da:

6.56

IP(EA), eV:

 -8.86(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]ethylamino]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=O)N2)C3CCN(CC3)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6

DOS

IR

Vibrations