Geometry & MOs

Info

ID:

106794

PubChem CID:

50176798

Reduced:

FO5N6C43H55 (1)

Stoich.:

AB5C6D43E55 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-258.66

Dipole, Da:

9.56

IP(EA), eV:

 -8.98(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations