Geometry & MOs

Info

ID:

110790

PubChem CID:

50340287

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-221.61

Dipole, Da:

6.24

IP(EA), eV:

 -8.79(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1-[1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations