Geometry & MOs

Info

ID:

92344

PubChem CID:

49985224

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-234.4

Dipole, Da:

11.03

IP(EA), eV:

 -8.92(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations