Geometry & MOs

Info

ID:

106739

PubChem CID:

50174793

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-199.58

Dipole, Da:

2.33

IP(EA), eV:

 -8.63(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations