Geometry & MOs

Info

ID:

113375

PubChem CID:

50441554

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-295.46

Dipole, Da:

2.59

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations