Geometry & MOs

Info

ID:

100519

PubChem CID:

50062129

Reduced:

F2N6O6C43H48 (1)

Stoich.:

A2B6C6D43E48 (1)

Weight, g/mol:

555.284555

ΔHf, kcal/mol:

-279.64

Dipole, Da:

8.99

IP(EA), eV:

 -8.69(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylcarbamoyl)-2-methylphenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations