Geometry & MOs

Info

ID:

99446

PubChem CID:

50050785

Reduced:

F3N6O6C40H41 (1)

Stoich.:

A3B6C6D40E41 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-313.23

Dipole, Da:

8.85

IP(EA), eV:

 -8.65(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations