Geometry & MOs

Info

ID:

111962

PubChem CID:

50388885

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

617.281361

ΔHf, kcal/mol:

-170.91

Dipole, Da:

3.42

IP(EA), eV:

 -9.15(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-fluoro-3-[(3-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations