Geometry & MOs

Info

ID:

99835

PubChem CID:

50055356

Reduced:

FN3O3C21H23 (2)

Stoich.:

AB3C3D21E23 (2)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-280.19

Dipole, Da:

1.43

IP(EA), eV:

 -8.04(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C)OC

DOS

IR

Vibrations