Geometry & MOs

Info

ID:

108493

PubChem CID:

50247735

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-218.27

Dipole, Da:

6.33

IP(EA), eV:

 -8.77(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations