Geometry & MOs

Info

ID:

94169

PubChem CID:

49998837

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-282.43

Dipole, Da:

11.43

IP(EA), eV:

 -8.9(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations