Geometry & MOs

Info

ID:

106898

PubChem CID:

50180623

Reduced:

BrO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

710.27913

ΔHf, kcal/mol:

-226.55

Dipole, Da:

7.31

IP(EA), eV:

 -9.08(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C

DOS

IR

Vibrations