Geometry & MOs

Info

ID:

109858

PubChem CID:

50299966

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-277.78

Dipole, Da:

16.3

IP(EA), eV:

 -8.61(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(butan-2-ylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)C

DOS

IR

Vibrations