Geometry & MOs

Info

ID:

100543

PubChem CID:

50062263

Reduced:

FN5O5C39H42 (1)

Stoich.:

AB5C5D39E42 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-189.07

Dipole, Da:

5.74

IP(EA), eV:

 -8.17(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)OC

DOS

IR

Vibrations