Geometry & MOs

Info

ID:

92366

PubChem CID:

49985307

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-223.24

Dipole, Da:

4.3

IP(EA), eV:

 -8.7(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C)C

DOS

IR

Vibrations