Geometry & MOs

Info

ID:

97184

PubChem CID:

50028397

Reduced:

FO5N6C44H51 (1)

Stoich.:

AB5C6D44E51 (1)

Weight, g/mol:

762.390497

ΔHf, kcal/mol:

-225.05

Dipole, Da:

10.32

IP(EA), eV:

 -8.53(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations