Geometry & MOs

Info

ID:

114571

PubChem CID:

50488726

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-233.24

Dipole, Da:

6.43

IP(EA), eV:

 -8.67(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=C(C=CC(=C6)F)F)C

DOS

IR

Vibrations