Geometry & MOs

Info

ID:

91124

PubChem CID:

49973459

Reduced:

N6O6C39H52 (1)

Stoich.:

A6B6C39D52 (1)

Weight, g/mol:

716.313389

ΔHf, kcal/mol:

-255.09

Dipole, Da:

8.05

IP(EA), eV:

 -9.0(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,6-difluorophenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations