Geometry & MOs

Info

ID:

111983

PubChem CID:

50389872

Reduced:

N5O5C39H49 (1)

Stoich.:

A5B5C39D49 (1)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-190.27

Dipole, Da:

4.45

IP(EA), eV:

 -8.65(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C)C

DOS

IR

Vibrations