Geometry & MOs

Info

ID:

113472

PubChem CID:

50446986

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-264.25

Dipole, Da:

8.08

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)C

DOS

IR

Vibrations