Geometry & MOs

Info

ID:

93304

PubChem CID:

49993105

Reduced:

F2O5N6C42H50 (1)

Stoich.:

A2B5C6D42E50 (1)

Weight, g/mol:

730.421797

ΔHf, kcal/mol:

-284.08

Dipole, Da:

9.03

IP(EA), eV:

 -8.78(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]-1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)CC6=CC=C(C=C6)F)F

DOS

IR

Vibrations