Geometry & MOs

Info

ID:

93623

PubChem CID:

49995711

Reduced:

F2O5N6C41H48 (1)

Stoich.:

A2B5C6D41E48 (1)

Weight, g/mol:

712.431219

ΔHf, kcal/mol:

-272.01

Dipole, Da:

12.3

IP(EA), eV:

 -8.66(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations