Geometry & MOs

Info

ID:

118258

PubChem CID:

50635989

Reduced:

ClN6O6C38H51 (1)

Stoich.:

AB6C6D38E51 (1)

Weight, g/mol:

748.407897

ΔHf, kcal/mol:

-258.3

Dipole, Da:

4.81

IP(EA), eV:

 -9.11(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations