Geometry & MOs

Info

ID:

119787

PubChem CID:

50701243

Reduced:

ClN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-167.56

Dipole, Da:

1.32

IP(EA), eV:

 -8.69(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=CC=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations