Geometry & MOs

Info

ID:

97051

PubChem CID:

50027282

Reduced:

ClFN5O5C36H41 (1)

Stoich.:

ABC5D5E36F41 (1)

Weight, g/mol:

607.260626

ΔHf, kcal/mol:

-214.47

Dipole, Da:

13.83

IP(EA), eV:

 -8.84(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methoxy-4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations