Geometry & MOs

Info

ID:

100636

PubChem CID:

50063324

Reduced:

FN5O5C37H46 (1)

Stoich.:

AB5C5D37E46 (1)

Weight, g/mol:

683.309467

ΔHf, kcal/mol:

-227.62

Dipole, Da:

9.35

IP(EA), eV:

 -8.69(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]butan-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)C)C(=O)NCC4=CC=C(C=C4)OC)F

DOS

IR

Vibrations