Geometry & MOs

Info

ID:

110219

PubChem CID:

50315807

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

736.318475

ΔHf, kcal/mol:

-238.08

Dipole, Da:

6.15

IP(EA), eV:

 -8.86(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6F)C

DOS

IR

Vibrations