Geometry & MOs

Info

ID:

98228

PubChem CID:

50040950

Reduced:

ClF2O5N6C41H41 (1)

Stoich.:

AB2C5D6E41F41 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-221.26

Dipole, Da:

2.79

IP(EA), eV:

 -8.86(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations