Geometry & MOs

Info

ID:

112543

PubChem CID:

50411021

Reduced:

F3N5O5H34C36 (1)

Stoich.:

A3B5C5D34E36 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-261.69

Dipole, Da:

7.25

IP(EA), eV:

 -8.3(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)OC)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations