Geometry & MOs

Info

ID:

110054

PubChem CID:

50307254

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

700.262103

ΔHf, kcal/mol:

-229.65

Dipole, Da:

6.49

IP(EA), eV:

 -8.83(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations