Geometry & MOs

Info

ID:

113564

PubChem CID:

50451241

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-267.1

Dipole, Da:

3.52

IP(EA), eV:

 -8.57(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations