Geometry & MOs

Info

ID:

106586

PubChem CID:

50170056

Reduced:

FO5N6C39H51 (1)

Stoich.:

AB5C6D39E51 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-270.6

Dipole, Da:

2.52

IP(EA), eV:

 -8.66(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6CCCCC6

DOS

IR

Vibrations