Geometry & MOs

Info

ID:

119403

PubChem CID:

50683195

Reduced:

ClF2O4N5C29H34 (1)

Stoich.:

AB2C4D5E29F34 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-246.52

Dipole, Da:

4.33

IP(EA), eV:

 -9.04(-0.56)

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-(dimethylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations