Geometry & MOs

Info

ID:

111865

PubChem CID:

50384626

Reduced:

N6O7C39H52 (1)

Stoich.:

A6B7C39D52 (1)

Weight, g/mol:

714.410483

ΔHf, kcal/mol:

-266.45

Dipole, Da:

11.17

IP(EA), eV:

 -8.55(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]-1-[1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)OC)C

DOS

IR

Vibrations