Geometry & MOs

Info

ID:

113598

PubChem CID:

50452101

Reduced:

F3O5N6C42H43 (1)

Stoich.:

A3B5C6D42E43 (1)

Weight, g/mol:

680.232552

ΔHf, kcal/mol:

-287.15

Dipole, Da:

9.38

IP(EA), eV:

 -8.79(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC=C6F)F)C)F

DOS

IR

Vibrations