Geometry & MOs

Info

ID:

113861

PubChem CID:

50461858

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-218.73

Dipole, Da:

6.62

IP(EA), eV:

 -8.87(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC)C)F

DOS

IR

Vibrations