Geometry & MOs

Info

ID:

114194

PubChem CID:

50473842

Reduced:

F2N6O6C35H38 (1)

Stoich.:

A2B6C6D35E38 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-281.47

Dipole, Da:

3.97

IP(EA), eV:

 -9.13(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations