Geometry & MOs

Info

ID:

112133

PubChem CID:

50396249

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-184.2

Dipole, Da:

2.77

IP(EA), eV:

 -8.82(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations