Geometry & MOs

Info

ID:

111668

PubChem CID:

50377288

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

714.446869

ΔHf, kcal/mol:

-280.69

Dipole, Da:

8.94

IP(EA), eV:

 -8.79(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4F)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations