Geometry & MOs

Info

ID:

119413

PubChem CID:

50684111

Reduced:

ClN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

611.287447

ΔHf, kcal/mol:

-203.31

Dipole, Da:

8.22

IP(EA), eV:

 -8.36(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(4-ethoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCC2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations