Geometry & MOs

Info

ID:

106417

PubChem CID:

50162566

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

676.431219

ΔHf, kcal/mol:

-240.72

Dipole, Da:

11.84

IP(EA), eV:

 -8.88(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)C

DOS

IR

Vibrations