Geometry & MOs

Info

ID:

100919

PubChem CID:

50064171

Reduced:

F2O5N6C35H38 (1)

Stoich.:

A2B5C6D35E38 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-260.24

Dipole, Da:

12.16

IP(EA), eV:

 -8.38(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C

DOS

IR

Vibrations