Geometry & MOs

Info

ID:

94710

PubChem CID:

50003392

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-253.45

Dipole, Da:

10.22

IP(EA), eV:

 -8.58(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations