Geometry & MOs

Info

ID:

103830

PubChem CID:

50077362

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

621.256289

ΔHf, kcal/mol:

-239.19

Dipole, Da:

4.04

IP(EA), eV:

 -8.29(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5CCCCC5

DOS

IR

Vibrations