Geometry & MOs

Info

ID:

93325

PubChem CID:

49993184

Reduced:

F2O5N6C42H50 (1)

Stoich.:

A2B5C6D42E50 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-281.4

Dipole, Da:

11.79

IP(EA), eV:

 -8.72(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations