Geometry & MOs

Info

ID:

109354

PubChem CID:

50281393

Reduced:

FO4N5C36H44 (1)

Stoich.:

AB4C5D36E44 (1)

Weight, g/mol:

645.332648

ΔHf, kcal/mol:

-187.06

Dipole, Da:

8.23

IP(EA), eV:

 -8.67(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC(C)C4=CC=CC=C4)C)F

DOS

IR

Vibrations