Geometry & MOs

Info

ID:

109619

PubChem CID:

50291919

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-223.64

Dipole, Da:

9.63

IP(EA), eV:

 -8.85(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations