Geometry & MOs

Info

ID:

91134

PubChem CID:

49973558

Reduced:

N6O6C37H48 (1)

Stoich.:

A6B6C37D48 (1)

Weight, g/mol:

700.394833

ΔHf, kcal/mol:

-236.95

Dipole, Da:

7.12

IP(EA), eV:

 -9.05(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations