Geometry & MOs

Info

ID:

105606

PubChem CID:

50130574

Reduced:

N6O6C37H48 (1)

Stoich.:

A6B6C37D48 (1)

Weight, g/mol:

684.399919

ΔHf, kcal/mol:

-235.79

Dipole, Da:

12.82

IP(EA), eV:

 -8.81(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations