Geometry & MOs

Info

ID:

119206

PubChem CID:

50673796

Reduced:

ClN6O6C41H55 (1)

Stoich.:

AB6C6D41E55 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-262.78

Dipole, Da:

7.23

IP(EA), eV:

 -8.63(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCC(C6)C)OC

DOS

IR

Vibrations