Geometry & MOs

Info

ID:

101391

PubChem CID:

50064657

Reduced:

F3O5N6C36H39 (1)

Stoich.:

A3B5C6D36E39 (1)

Weight, g/mol:

678.277753

ΔHf, kcal/mol:

-310.58

Dipole, Da:

13.59

IP(EA), eV:

 -8.9(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-fluorophenyl)-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations