Geometry & MOs

Info

ID:

111466

PubChem CID:

50369379

Reduced:

N5O5C32H41 (1)

Stoich.:

A5B5C32D41 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-199.59

Dipole, Da:

4.01

IP(EA), eV:

 -8.94(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations