Geometry & MOs

Info

ID:

103172

PubChem CID:

50070492

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-253.64

Dipole, Da:

13.62

IP(EA), eV:

 -8.44(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=CC(=C5)F)C)C)F

DOS

IR

Vibrations