Geometry & MOs

Info

ID:

95512

PubChem CID:

50009957

Reduced:

ClN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-185.85

Dipole, Da:

8.31

IP(EA), eV:

 -8.9(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations