Geometry & MOs

Info

ID:

95283

PubChem CID:

50007741

Reduced:

ClN5O5C28H34 (1)

Stoich.:

AB5C5D28E34 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-179.82

Dipole, Da:

8.83

IP(EA), eV:

 -8.99(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations