Geometry & MOs

Info

ID:

120627

PubChem CID:

50737842

Reduced:

FO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-240.14

Dipole, Da:

8.85

IP(EA), eV:

 -9.08(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-2-oxoethyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C)F

DOS

IR

Vibrations