Geometry & MOs

Info

ID:

100647

PubChem CID:

50063384

Reduced:

F4O5N6H38C40 (1)

Stoich.:

A4B5C6D38E40 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-307.79

Dipole, Da:

13.09

IP(EA), eV:

 -8.93(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations