Geometry & MOs

Info

ID:

447291

PubChem CID:

135281785

Reduced:

BrFSCl2N2O5H22C27 (1)

Stoich.:

ABCD2E2F5G22H27 (1)

Weight, g/mol:

470.232934

ΔHf, kcal/mol:

-172.85

Dipole, Da:

6.83

IP(EA), eV:

 -9.76(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[(3S)-3-amino-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]carbamoyl]-4-ethoxypyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2C(=O)C3=C(C2(C4=CC=C(C=C4)Cl)OCC5(CC5)C(=O)N)C(=CC(=C3)Br)F

DOS

IR

Vibrations