Geometry & MOs

Info

ID:

111996

PubChem CID:

50390439

Reduced:

ClO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-198.71

Dipole, Da:

6.17

IP(EA), eV:

 -8.75(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl)C

DOS

IR

Vibrations