Geometry & MOs

Info

ID:

107783

PubChem CID:

50218701

Reduced:

FO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-189.69

Dipole, Da:

10.55

IP(EA), eV:

 -8.78(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations