Geometry & MOs

Info

ID:

112772

PubChem CID:

50418910

Reduced:

FO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-274.26

Dipole, Da:

6.7

IP(EA), eV:

 -8.55(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[5-(cyclopentylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C)C

DOS

IR

Vibrations