Geometry & MOs

Info

ID:

94282

PubChem CID:

49999378

Reduced:

F2O5N6C42H52 (1)

Stoich.:

A2B5C6D42E52 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-288.94

Dipole, Da:

8.39

IP(EA), eV:

 -8.54(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations