Geometry & MOs

Info

ID:

113193

PubChem CID:

50434436

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-314.19

Dipole, Da:

8.39

IP(EA), eV:

 -8.97(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]phenyl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations