Geometry & MOs

Info

ID:

108532

PubChem CID:

50248722

Reduced:

F3N5O5H34C36 (1)

Stoich.:

A3B5C5D34E36 (1)

Weight, g/mol:

748.374847

ΔHf, kcal/mol:

-254.99

Dipole, Da:

4.09

IP(EA), eV:

 -8.73(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations