Geometry & MOs

Info

ID:

112521

PubChem CID:

50410094

Reduced:

N5O5C36H45 (1)

Stoich.:

A5B5C36D45 (1)

Weight, g/mol:

633.312661

ΔHf, kcal/mol:

-171.73

Dipole, Da:

9.97

IP(EA), eV:

 -8.43(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C)C

DOS

IR

Vibrations