Geometry & MOs

Info

ID:

92787

PubChem CID:

49989567

Reduced:

N6O6C41H50 (1)

Stoich.:

A6B6C41D50 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-223.49

Dipole, Da:

8.75

IP(EA), eV:

 -8.66(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations