Geometry & MOs

Info

ID:

110456

PubChem CID:

50325474

Reduced:

ClO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-181.26

Dipole, Da:

4.74

IP(EA), eV:

 -8.83(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[3-(propylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl)C(=O)NC(C)C

DOS

IR

Vibrations