Geometry & MOs

Info

ID:

114767

PubChem CID:

50496300

Reduced:

FO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-136.61

Dipole, Da:

7.2

IP(EA), eV:

 -8.7(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations