Geometry & MOs

Info

ID:

92418

PubChem CID:

49985954

Reduced:

BrO3N4C28H35 (1)

Stoich.:

AB3C4D28E35 (1)

Weight, g/mol:

698.415569

ΔHf, kcal/mol:

-119.03

Dipole, Da:

4.71

IP(EA), eV:

 -9.04(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations