Geometry & MOs

Info

ID:

114191

PubChem CID:

50473703

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-245.11

Dipole, Da:

5.09

IP(EA), eV:

 -8.52(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5F)C)F

DOS

IR

Vibrations