Geometry & MOs

Info

ID:

108045

PubChem CID:

50227722

Reduced:

F3O5N6H39C40 (1)

Stoich.:

A3B5C6D39E40 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-270.99

Dipole, Da:

13.03

IP(EA), eV:

 -8.96(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-6-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6)F

DOS

IR

Vibrations