Geometry & MOs

Info

ID:

98716

PubChem CID:

50045930

Reduced:

F2N5O5C31H33 (1)

Stoich.:

A2B5C5D31E33 (1)

Weight, g/mol:

593.244976

ΔHf, kcal/mol:

-242.32

Dipole, Da:

6.05

IP(EA), eV:

 -8.52(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations