Geometry & MOs

Info

ID:

98810

PubChem CID:

50046474

Reduced:

O4F5N5H28C30 (1)

Stoich.:

A4B5C5D28E30 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-329.54

Dipole, Da:

6.55

IP(EA), eV:

 -9.23(-0.69)

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-(5-fluoro-2-methylanilino)-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=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations