Geometry & MOs

Info

ID:

98919

PubChem CID:

50047393

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-235.06

Dipole, Da:

13.5

IP(EA), eV:

 -8.69(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations