Geometry & MOs

Info

ID:

92090

PubChem CID:

49982802

Reduced:

BrO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-201.59

Dipole, Da:

9.25

IP(EA), eV:

 -8.89(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)C(=O)NC

DOS

IR

Vibrations