Geometry & MOs

Info

ID:

120165

PubChem CID:

50716309

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-231.13

Dipole, Da:

4.2

IP(EA), eV:

 -8.51(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations