Geometry & MOs

Info

ID:

111365

PubChem CID:

50363413

Reduced:

N6O6C37H48 (1)

Stoich.:

A6B6C37D48 (1)

Weight, g/mol:

682.327897

ΔHf, kcal/mol:

-237.16

Dipole, Da:

8.8

IP(EA), eV:

 -9.0(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-fluorophenyl)-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)N6CCCC6

DOS

IR

Vibrations