Geometry & MOs

Info

ID:

94350

PubChem CID:

49999813

Reduced:

F2O5N6C43H54 (1)

Stoich.:

A2B5C6D43E54 (1)

Weight, g/mol:

736.431219

ΔHf, kcal/mol:

-296.99

Dipole, Da:

11.32

IP(EA), eV:

 -9.0(-0.41)

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-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxobutan-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)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations