Geometry & MOs

Info

ID:

113446

PubChem CID:

50445714

Reduced:

F2O4N5C37H43 (1)

Stoich.:

A2B4C5D37E43 (1)

Weight, g/mol:

728.406147

ΔHf, kcal/mol:

-228.0

Dipole, Da:

5.74

IP(EA), eV:

 -9.01(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations